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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H31ClO5
Molecular Weight 434.953
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6β-Chloro-7a-hydroxy-6,7-dihydrocyproterone acetate

SMILES

[H][C@@]12C[C@]1([H])[C@@]3(C)C(=CC2=O)[C@H](Cl)[C@@H](O)[C@@]4([H])[C@]5([H])CC[C@](OC(C)=O)(C(C)=O)[C@@]5(C)CC[C@]34[H]

InChI

InChIKey=MQCUOQYFPPINFT-SXXHTHPYSA-N
InChI=1S/C24H31ClO5/c1-11(26)24(30-12(2)27)8-6-14-19-15(5-7-22(14,24)3)23(4)16-9-13(16)18(28)10-17(23)20(25)21(19)29/h10,13-16,19-21,29H,5-9H2,1-4H3/t13-,14+,15+,16+,19+,20+,21+,22+,23+,24+/m1/s1

HIDE SMILES / InChI

Molecular Formula C24H31ClO5
Molecular Weight 434.953
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 10 / 10
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:52:58 GMT 2023
Edited
by admin
on Sat Dec 16 19:52:58 GMT 2023
Record UNII
62GJ5G3LDT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6β-Chloro-7a-hydroxy-6,7-dihydrocyproterone acetate
Common Name English
(1S,2S,3S,5R,9S,10S,11R,12S,15R,16S)-15-acetyl-9-chloro-10-hydroxy-2,16-dimethyl-6-oxopentacyclo[9.7.0.0^{2,8}.0^{3,5}.0^{12,16}]octadec-7-en-15-yl acetate
Systematic Name English
6β-chloro-7α-hydroxy-3,20-dioxo-1β,2β-dihydro-3′H-cyclopropa[1,2]pregna-1,4-dien-17-yl acetate
Systematic Name English
CYPROTERONE ACETATE IMPURITY G [EP IMPURITY]
Common Name English
3′H-Cyclopropa[1,2]pregna-1,4-diene-3,20-dione, 6β-chloro-1β,2β-dihydro-7α,17-dihydroxy-, 17-acetate
Systematic Name English
(2aR,3aS,3bS,3cS,5aS,6R,8aS,8bR,9S,10S)-6-acetyl-10-chloro-9-hydroxy-3b,5a-dimethyl-2-oxo-2,2a,3,3a,3b,3c,4,5,5a,6,7,8,8a,8b,9,10-hexadecahydrocyclopenta[a]cyclopropa[g]phenanthren-6-yl acetate
Systematic Name English
Cyclopropa[1,2]cyclopenta[a]phenanthrene, 3′H-cyclopropa[1,2]pregna-1,4-diene-3,20-dione deriv.
Systematic Name English
3′H-Cyclopropa[1,2]pregna-1,4-diene-3,20-dione, 17-(acetyloxy)-6-chloro-1,2-dihydro-7-hydroxy-, (1β,2β,6β,7α)-
Systematic Name English
Code System Code Type Description
PUBCHEM
13423627
Created by admin on Sat Dec 16 19:52:58 GMT 2023 , Edited by admin on Sat Dec 16 19:52:58 GMT 2023
PRIMARY
CAS
23814-84-8
Created by admin on Sat Dec 16 19:52:58 GMT 2023 , Edited by admin on Sat Dec 16 19:52:58 GMT 2023
PRIMARY
FDA UNII
62GJ5G3LDT
Created by admin on Sat Dec 16 19:52:58 GMT 2023 , Edited by admin on Sat Dec 16 19:52:58 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY