U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C23H29ClO4
Molecular Weight 404.927
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 17-(ACETYLOXY)-6-CHLORO-PREGNA-1,4-DIENE-3,20-DIONE, (6.ALPHA.)-

SMILES

[H][C@@]12CC[C@](OC(C)=O)(C(C)=O)[C@@]1(C)CC[C@@]3([H])[C@@]2([H])C[C@H](Cl)C4=CC(=O)C=C[C@]34C

InChI

InChIKey=AQDNTKZTMCWYDA-WXLIAARGSA-N
InChI=1S/C23H29ClO4/c1-13(25)23(28-14(2)26)10-7-18-16-12-20(24)19-11-15(27)5-8-21(19,3)17(16)6-9-22(18,23)4/h5,8,11,16-18,20H,6-7,9-10,12H2,1-4H3/t16-,17+,18+,20+,21-,22+,23+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
17-(ACETYLOXY)-6-CHLORO-PREGNA-1,4-DIENE-3,20-DIONE, (6.ALPHA.)-
Systematic Name English
PREGNA-1,4-DIENE-3,20-DIONE, 6.ALPHA.-CHLORO-17-HYDROXY-, ACETATE
Systematic Name English
PREGNA-1,4-DIENE-3,20-DIONE, 6-ALPHA-CHLORO-17-ALPHA-HYDROXY-, ACETATE (ESTER)
Common Name English
PREGNA-1,4-DIENE-3,20-DIONE, 17-(ACETYLOXY)-6-CHLORO-, (6.ALPHA.)-
Systematic Name English
CISMADINONE ACETATE
Systematic Name English
6.ALPHA.-CHLORO-17-HYDROXYPREGNA-1,4-DIENE-3,20-DIONE ACETATE
Systematic Name English
Code System Code Type Description
FDA UNII
8IVS3A4Y7Z
Created by admin on Sat Dec 16 08:04:43 GMT 2023 , Edited by admin on Sat Dec 16 08:04:43 GMT 2023
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CAS
151-69-9
Created by admin on Sat Dec 16 08:04:43 GMT 2023 , Edited by admin on Sat Dec 16 08:04:43 GMT 2023
PRIMARY
WIKIPEDIA
Cismadinone acetate
Created by admin on Sat Dec 16 08:04:43 GMT 2023 , Edited by admin on Sat Dec 16 08:04:43 GMT 2023
PRIMARY
PUBCHEM
200121
Created by admin on Sat Dec 16 08:04:43 GMT 2023 , Edited by admin on Sat Dec 16 08:04:43 GMT 2023
PRIMARY
EPA CompTox
DTXSID50934144
Created by admin on Sat Dec 16 08:04:43 GMT 2023 , Edited by admin on Sat Dec 16 08:04:43 GMT 2023
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