Chloranbucil | Solubility of Things

Identification

Molecular formula

C₂₆H₃₂ClNO₄

CAS number

6538-69-4

IUPAC name

[(1S,2S,3S,5R,11R,12S,15R,16S)-15-acetyl-9-chloro-2,16-dimethyl-6-oxo-15-pentacyclo[9.7.0.02,8.03,5.012,16]octadeca-7,9-dienyl] acetate

State

Chloranbucil is a solid at room temperature.

Melting point (Celsius)

178.00

Melting point (Kelvin)

451.15

Boiling point (Celsius)

502.00

Boiling point (Kelvin)

775.15

General information

Molecular weight

444.00g/mol

Molar mass

443.0500g/mol

Density

1.3500g/cm³

Appearence

Chloranbucil appears as a pale yellow to orange crystalline powder.

Comment on solubility

Solubility of [(1S,2S,3S,5R,11R,12S,15R,16S)-15-acetyl-9-chloro-2,16-dimethyl-6-oxo-15-pentacyclo[9.7.0.02,8.03,5.012,16]octadeca-7,9-dienyl] acetate

The solubility of this intricate compound is influenced by its unique structure and the presence of various functional groups. Understanding its solubility is crucial for applications in pharmaceutical formulations and chemical processes. Here are some key points regarding its solubility:

Polar vs. Non-Polar Solvents: Due to the presence of the acetyl and chloro groups, this compound is likely to exhibit varying solubility characteristics in different solvents. It may be more soluble in polar solvents like ethanol or methanol compared to non-polar solvents.
Temperature Dependence: The solubility may increase with temperature, a common trend for many organic compounds. Therefore, careful consideration of the temperature during solubility testing is essential.
pH Influence: The solubility may also vary with pH due to the potential ionization of the acetyl group. A highly alkaline or acidic environment may affect its solubility significantly.
Crystalline Structure: If the compound possesses a highly crystalline structure, its solubility may be limited compared to more amorphous counterparts.

This compound's solubility profile is complex and necessitates comprehensive testing under various conditions to fully understand its behavior in solution. Monitored studies will illuminate its potential utility in targeted applications.

Interesting facts

Interesting Facts about the Compound: [(1S,2S,3S,5R,11R,12S,15R,16S)-15-acetyl-9-chloro-2,16-dimethyl-6-oxo-15-pentacyclo[9.7.0.02,8.03,5.012,16]octadeca-7,9-dienyl] acetate

This fascinating compound belongs to a class of organic molecules with substantial biological and chemical relevance. Here are some intriguing aspects:

Complex Structure: The detailed stereochemistry of this compound makes it a unique subject for study. Its multiple rings and stereocenters underline the intricate nature of organic compounds.
Potential Biological Activity: Compounds with similar structural features are often explored in pharmacology for their potential therapeutic effects, particularly in the fields of oncology and infectious diseases.
Natural Prototypes: The compound’s structure mirrors those of certain natural products, showcasing how nature can inspire synthetic organic chemistry. Many natural products serve as templates for new drug development.
Chloro Compounds: The presence of the chlorine atom can significantly alter the compound's reactivity and biological properties, making it a focal point in designing agents with specific actions.
Multifunctional Groups: The acetyl group (-COCH₃) adds to the compound's versatility, influencing its interaction with biological systems and enhancing its potential uses.

Compounds like this one highlight the beauty of chemistry and its implications in understanding nature. As scientists continue to unravel their intricate structures and functionalities, they pave the way for innovative applications in medicine and beyond.

Synonyms

CYPROTERONE ACETATE

427-51-0

Androcur

Cyproteroneacetate

Cyproterone 17-O-acetate

Cyproteron acetate

Cyproteron-R acetate

Cyprostat

NSC-81430

SH 714

Cyproterone 17alpha-acetate

SH-714

SH 80714

CCRIS 4385

Cyproterone acetate [USAN:JAN]

HSDB 3592

4KM2BN5JHF

EINECS 207-048-3

NSC 81430

Cyprosterone acetate

Cyproterone 17.alpha.-acetate

MLS000859908

DTXSID5020366

CHEBI:50743

NSC81430

3'H-Cyclopropa(1,2)pregna-1,4,6-triene-3,20-dione, 17-(acetyloxy)-6-chloro-1,2-dihydro-, (1beta,2beta)-

DTXCID30366

CHEMBL139835

(1R,3aS,3bR,7aR,8aS,8bS,8cS,10aS)-1-acetyl-5-chloro-8b,10a-dimethyl-7-oxo-1,2,3,3a,3b,7,7a,8,8a,8b,8c,9,10,10a-tetradecahydrocyclopenta[a]cyclopropa[g]phenanthren-1-yl acetate

6-Chloro-1beta,2beta-dihydro-17-hydroxy-3'H-cyclopropa(1,2)-pregna-1,4,6-triene-3,20-dione acetate

CYPROTERONE ACETATE [MI]

CYPROTERONE ACETATE [JAN]

CYPROTERONE ACETATE [HSDB]

CYPROTERONE ACETATE [USAN]

SH714

6-Chloro-delta-6-1,2alpha-methylene-17alpha-hydroxyprogesterone acetate

CYPROTERONE ACETATE [MART.]

1,2-alpha-Methylene-6-chloro-delta(sup 6)-17-alpha-hydroxyprogesterone acetate

1,2-alpha-Methylene-6-chloro-pregna-4,6-diene-3,20-dione 17-alpha-acetate

17-alpha-Acetoxy-6-chloro-1-alpha,2-alpha-methylenepregna-4,6-diene-3,20-dione

6-Chloro-1,2-alpha-methylene-17-alpha-hydroxy-delta(sup 6)-progesterone acetate

6-Chloro-1,2-alpha-methylene-6-dehydro-17-alpha-hydroxyprogesterone acetate

6-Chloro-delta(sup 6)-1,2-alpha-methylene-17-alpha-hydroxyprogesterone acetate

CYPROTERONE ACETATE [WHO-DD]

1,2-alpha-Methylene-6-chloro-(sup 4,6)-pregnadiene-17-alpha-ol-3,20-dione 17-alpha-acetate

6-Chlor-delta(sup 6)-1,2-alpha-methylen-17-alpha-hydroxyprogesteronacetat [German]

6-Chloro-17-hydroxy-1-alpha,2-alpha-methylenepregna-4,6-diene-3,20-dione acetate

Pregna-4,6-diene-3,20-dione, 6-chloro-17-hydroxy-1-alpha,2-alpha-methylene-, acetate

3'H-Cyclopropa[1,2]pregna-1,4,6-triene-3,20-dione, 17-(acetyloxy)-6-chloro-1,2-dihydro-, (1.beta.,2.beta.)-

NCGC00091032-03

CYPROTERONE ACETATE [EP MONOGRAPH]

6-Chlor-delta(sup 6)-1,2-alpha-methylen-17-alpha-hydroxyprogesteronacetat

6-chloro-3,20-dioxo-1beta,2beta-dihydro-3'H-cyclopropa[1,2]pregna-4,6-dien-17-yl acetate

3'H-Cyclopropa(1,2)pregna-1,4,6-triene-3,20-dione, 6-chloro-1-beta,2-beta-dihydro-17-hydroxy-, acetate

CYPROTERONE ACETATE (MART.)

Cyproterone (acetate)

6-Chloro-17-hydroxy-1alpha,2alpha-methylenepregna-4,6-diene-3,20-dione acetate

(1beta,2beta)-17-(Acetyloxy)-6-chloro-1,2-dihydro-3'H-cyclopropa[1,2]pregna-1,4,6-triene-3,20-dione

(2aR,3aS,3bS,3cS,5aS,6R,8aS,8bR)-6-acetyl-10-chloro-3b,5a-dimethyl-2-oxo-2,2a,3,3a,3b,3c,4,5,5a,6,7,8,8a,8b-tetradecahydrocyclopenta[a]cyclopropa[g]phenanthren-6-yl acetate

acetic acid (8R,9S,10S,13S,14S,17R)-17-acetyl-6-(S)-chloro-10,13-dimethyl-3-(R)-oxo-1,2,3,8,9,10,11,12,13,14,15,16,17,20-tetradecahydro-cyclopropa[1,2]cyclopenta[a]phenanthren-17-yl ester

CYPROTERONE ACETATE (EP MONOGRAPH)

SMR000326769

SR-01000075755

UNII-4KM2BN5JHF

MFCD00864671

Cyprone

Dianette

Cyproteronazetat

Cyprostat&reg

CyPat

Andro-Diane

6-chloro-3,20-dioxo-1beta,2beta-dihydro-3'H-cyclopropa(1,2)pregna-4,6-dien-17-yl acetate

Cyproteroni Acetas

cyproterone-acetate

Androcur 10

(1beta,2beta)-17-(acetyloxy)-6-chloro-1,2-dihydro-3'H-cyclopropa(1,2)pregna-1,4,6-triene-3,20-dione

(1R,3aS,3bR,7aR,8aS,8bS,8cS,10aS)-1-acetyl-5-chloro-8b,10a-dimethyl-7-oxo-1,2,3,3a,3b,7,7a,8,8a,8b,8c,9,10,10a-tetradecahydrocyclopenta(a)cyclopropa(g)phenanthren-1-yl acetate

(1S,2S,3S,5R,11R,12S,15R,16S)-15-acetyl-9-chloro-2,16-dimethyl-6-oxopentacyclo(9.7.0.02,8.03,5.012,16)octadeca-7,9-dien-15-yl acetate

(1S,2S,3S,5R,11R,12S,15R,16S)-15-acetyl-9-chloro-2,16-dimethyl-6-oxopentacyclo[9.7.0.02,8.03,5.012,16]octadeca-7,9-dien-15-yl acetate

3'H-CYCLOPROPA(1,2)PREGNA-1,4,6-TRIENE-3,20-DIONE, 17-(ACETYLOXY)-6-CHLORO-1,2-DIHYDRO-, (1.BETA.,2.BETA.)-

3'H-Cyclopropa[1,2]pregna-1,4,6-triene-3,20-dione, 17-(acetyloxy)-6-chloro-1,2-dihydro-, (1beta,2beta)-

6-Chloro-1b,2b-dihydro-17a-hydroxy-3'H-cyclopropa(1,2)pregna-1,4,6-triene-3,20-dione Acetate

6-Chloro-1b,2b-dihydro-17a-hydroxy-3'H-cyclopropa[1,2]pregna-1,4,6-triene-3,20-dione Acetate

acetic acid (8R,9S,10S,13S,14S,17R)-17-acetyl-6-(S)-chloro-10,13-dimethyl-3-(R)-oxo-1,2,3,8,9,10,11,12,13,14,15,16,17,20-tetradecahydro-cyclopropa(1,2)cyclopenta(a)phenanthren-17-yl ester

CAS-427-51-0

Cyproterone acetic acid

2oz7

cid_9880

SCHEMBL5936

BIDD:PXR0052

Lopac0_000301

MLS001055462

MLS001066353

MLS002207305

MLS006011110

Cyproterone acetate, >=98%

GTPL2865

Cyproterone acetate Assay Standard

HMS2090A14

HMS2233J06

HMS3260N04

Tox21_111064

Tox21_201686

Tox21_302941

Tox21_500301

AC-929

BDBM50094569

DL-368

s2042

AKOS008901350

AKOS015895238

Tox21_111064_1

CCG-204396

DB04839

FC20764

LP00301

SDCCGSBI-0050289.P002

NCGC00091032-01

NCGC00091032-04

NCGC00091032-05

NCGC00091032-09

NCGC00091032-12

NCGC00256442-01

NCGC00259235-01

NCGC00260986-01

NCGC00262575-02

Progesterone,2.alpha.-methylene, acetate

(1S,2S,3S,12S,16S,5R,11R,15R)-15-acetyl-9-chloro-2,16-dimethyl-6-oxopentacyclo [9.7.0.0<2,8>.0<3,5>.0<12,16>]octadeca-7,9-dien-15-yl acetate

6-Chloro-1-beta,2-beta-dihydro-17-hydroxy-3'H-cyclopropa(1,2)pregna-1,4,6-triene-3,20-dione 17-acetate

SMR000686068

Cyproterone acetate for peak identification

Progesterone,2.alpha.-methylene-, acetate

(acetyl-chloro-dimethyl-oxo-[?]yl) acetate

1,6-diene-3,20-dione 17.alpha.-acetate

C2942

EU-0100301

NS00003744

C 3412

D01368

AB00698312-08

1,6)-pregnadeine-17.alpha.-3,20-dione acetate

EN300-19765943

Q426185

SR-01000075755-1

SR-01000075755-4

SR-01000075755-6

1,6)-pregnadiene-17.alpha.-ol-3,20-dione acetate

BRD-K41141507-001-15-4

BRD-K41141507-001-16-2

6-Chloro-1beta,2beta-dihydro-17-hydroxy-3'H-cyclopropa

WLN: L F3 E6 D665 IV JU LUTJ A1 E1 RV1 RQ

17.alpha.-Acetoxy-6-chloro-1.alpha.,6-diene-3,20-dione

6-Chloro-17-hydroxy-1.alpha.,6-diene-3,20-dione acetate

1,6)-pregnadiene-17.alpha.-ol-3,20-dione 17alpha-acetate

6-Chloro-1.beta.,2]pregna-1,4,6-triene-3,20-dione acetate

Cyproterone acetate, European Pharmacopoeia (EP) Reference Standard

(1beta,2beta)-17-(Acetyloxy)-6-chloro-1,2-dihydro-3'H-cyclopropa-

1,2alpha-Methylene-6-chloro-17alpha-acetoxy-4,6-pregnadiene-3,20-dione

1,2alpha-Methylene-6-chloro-pregna-4,6-diene-3,20-dione 17alpha-acetate

6-chloro-1,2alpha-methylene-17alpha-hydroxy-Delta(6)-progesterone acetate

6-chloro-1,2alpha-methylene-6-dehydro-17alpha-hydroxyprogesterone acetate

6-chloro-17-acetoxy-1alpha,2alpha-methylene-4,6-pregnadiene-3,20-dione

1,2.alpha.-Methylene-6-chloro-.delta.(sup 6)-17.alpha.-hydroxyprogesterone acetate

1,2alpha-methylene-6-chloro-Delta(4,6)-pregnadien-17alpha-ol-3,20-dione acetate

17alpha-acetoxy-6-chloro-1alpha,2alpha-methylene-4,6-pregnadiene-3,20-dione

17alpha-acetoxy-6-chloro-1alpha,2alpha-methylenepregna-4,6-diene-3,20-dione

6-Chloro-.delta.(sup 6)-1,2.alpha.-methylene-17.alpha.-hydroxyprogesterone acetate

6-Chloro-1,2.alpha.-methylene-17.alpha.-hydroxy-.delta.(sup 6)-progesterone acetate

6-Chloro-1,2.alpha.-methylene-6-dehydro-17.alpha.-hydroxyprogesterone acetate

Chloro-6-hydroxy-17 Alpha Methylene-1 Alpha, 2 Alpha Pregnadiene-4,6 Dione-3, 20 Acetate

Cyproterone acetate for peak identification, European Pharmacopoeia (EP) Reference Standard

Methylene-6-chloro-17-hydroxy-1alpha,2alpha-pregna-4,6-diene-3,20-dione acetate

Pregna-4,20-dione, 6-chloro-17-hydroxy-1.alpha.,2.alpha.-methylene-, acetate

(1S,2S,3S,5R,11R,12S,15R,16S)-15-acetyl-9-chloro-2,16-dimethyl-6-oxopentacyclo[9.7.0.0^{2,8}.0^{3,5}.0^{12,16}]octadeca-7,9-dien-15-yl acetate

[(1S,2S,3S,5R,11R,12S,15R,16S)-15-acetyl-9-chloro-2,16-dimethyl-6-oxo-15-pentacyclo[9.7.0.02,8.03,5.012,16]octadeca-7,9-dienyl] acetate

3'H-Cyclopropa[1,4,6-triene-3,20-dione, 17-(acetyloxy)-6-chloro-1,2-dihydro-, (1.beta.,2.beta.)-

3'H-Cyclopropa[1,4,6-triene-3,20-dione, 6-chloro-1.beta.,2.beta.-dihydro-17-hydroxy-, acetate

3'H-Cyclopropa[1,4,6-triene-3,20-dione, 6-chloro-1.beta.,2.beta.-dihydro-17-hydroxy-,acetate

6-CHLORO-1.BETA.,2.BETA.-DIHYDRO-17-HYDROXY-3'H-CYCLOPROPA(1,2)-PREGNA-1,4,6-TRIENE-3,20-DIONE ACETATE

6-Chloro-1?,2?-dihydro-17-hydroxy-3'H-cyclopropa[1,2]pregna-1,4,6-triene-3,20-dione 17-acetate

6-chloro-3,20-dioxo-1beta,2beta-dihydro-3''H-cyclopropa[1,2]pregna-4,6-dien-17-yl acetate

6-Chloro-3,20-dioxo-1beta,2beta-dihydro-3'H-cyclopropa[1,2]pregna-1,4,6-trien-17-yl acetate