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

Details

Stereochemistry ABSOLUTE
Molecular Formula C24H31ClO3
Molecular Weight 402.954
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7-CHLOROMETHYL 17-EPIDROSPIRENONE

SMILES

[H][C@@]12C[C@]1([H])[C@]3(CCC(=O)O3)[C@@]4(C)CC[C@@]5([H])[C@@]([H])([C@@H](CCl)CC6=CC(=O)CC[C@]56C)[C@]24[H]

InChI

InChIKey=YGBFZJNESAZJNB-WUVPQEDYSA-N
InChI=1S/C24H31ClO3/c1-22-6-3-15(26)10-14(22)9-13(12-25)20-17(22)4-7-23(2)21(20)16-11-18(16)24(23)8-5-19(27)28-24/h10,13,16-18,20-21H,3-9,11-12H2,1-2H3/t13-,16-,17+,18+,20-,21+,22+,23+,24-/m1/s1

HIDE SMILES / InChI

Molecular Formula C24H31ClO3
Molecular Weight 402.954
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 05:14:32 UTC 2023
Edited
by admin
on Sat Dec 16 05:14:32 UTC 2023
Record UNII
A9G24226Q5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
7-CHLOROMETHYL 17-EPIDROSPIRENONE
Common Name English
3'H-CYCLOPROPA(15,16)PREGNA-4,15-DIENE-21-CARBOXYLIC ACID, 7-(CHLOROMETHYL)-15,16-DIHYDRO-17-HYDROXY-3-OXO-, .GAMMA.-LACTONE, (7.BETA.,15.ALPHA.,16.ALPHA.)-
Common Name English
DROSPIRENONE IMPURITY, 7-CHLOROMETHYL 17-EPIDROSPIRENONE- [USP IMPURITY]
Common Name English
DROSPIRENONE IMPURITY H [EP IMPURITY]
Common Name English
(+)-7-CHLOROMETHYL 17-EPIDROSPIRENONE
Common Name English
3'-CHLORO-3',6-SECO-17-EPIDROSPIRENONE
Common Name English
Code System Code Type Description
FDA UNII
A9G24226Q5
Created by admin on Sat Dec 16 05:14:32 UTC 2023 , Edited by admin on Sat Dec 16 05:14:32 UTC 2023
PRIMARY
EPA CompTox
DTXSID50239343
Created by admin on Sat Dec 16 05:14:32 UTC 2023 , Edited by admin on Sat Dec 16 05:14:32 UTC 2023
PRIMARY
PUBCHEM
71314745
Created by admin on Sat Dec 16 05:14:32 UTC 2023 , Edited by admin on Sat Dec 16 05:14:32 UTC 2023
PRIMARY
CAS
932388-89-1
Created by admin on Sat Dec 16 05:14:32 UTC 2023 , Edited by admin on Sat Dec 16 05:14:32 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP