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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H28O2
Molecular Weight 312.4458
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DEMEGESTONE

SMILES

[H][C@@]12CC[C@](C)(C(C)=O)[C@@]1(C)CCC3=C4CCC(=O)C=C4CC[C@@]23[H]

InChI

InChIKey=JWAHBTQSSMYISL-MHTWAQMVSA-N
InChI=1S/C21H28O2/c1-13(22)20(2)11-9-19-18-6-4-14-12-15(23)5-7-16(14)17(18)8-10-21(19,20)3/h12,18-19H,4-11H2,1-3H3/t18-,19+,20-,21+/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H28O2
Molecular Weight 312.4458
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 16:30:51 UTC 2023
Edited
by admin
on Fri Dec 15 16:30:51 UTC 2023
Record UNII
6E89AM91SZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DEMEGESTONE
INN   MART.   MI   WHO-DD  
INN  
Official Name English
demegestone [INN]
Common Name English
19-NORPREGNA-4,9-DIENE-3,20-DIONE, 17-METHYL-
Common Name English
Demegestone [WHO-DD]
Common Name English
DEMEGESTONE [MART.]
Common Name English
R-2453
Code English
17-METHYL-19-NORPREGNA-4,9-DIENE-3,20-DIONE
Common Name English
DEMEGESTONE [MI]
Common Name English
NSC-118189
Code English
R 2453
Code English
Classification Tree Code System Code
WHO-VATC QG03DB05
Created by admin on Fri Dec 15 16:30:52 UTC 2023 , Edited by admin on Fri Dec 15 16:30:52 UTC 2023
NCI_THESAURUS C776
Created by admin on Fri Dec 15 16:30:51 UTC 2023 , Edited by admin on Fri Dec 15 16:30:51 UTC 2023
WHO-ATC G03DB05
Created by admin on Fri Dec 15 16:30:51 UTC 2023 , Edited by admin on Fri Dec 15 16:30:51 UTC 2023
Code System Code Type Description
CAS
10116-22-0
Created by admin on Fri Dec 15 16:30:51 UTC 2023 , Edited by admin on Fri Dec 15 16:30:51 UTC 2023
PRIMARY
SMS_ID
100000083692
Created by admin on Fri Dec 15 16:30:52 UTC 2023 , Edited by admin on Fri Dec 15 16:30:52 UTC 2023
PRIMARY
EVMPD
SUB06966MIG
Created by admin on Fri Dec 15 16:30:51 UTC 2023 , Edited by admin on Fri Dec 15 16:30:51 UTC 2023
PRIMARY
DRUG CENTRAL
803
Created by admin on Fri Dec 15 16:30:51 UTC 2023 , Edited by admin on Fri Dec 15 16:30:51 UTC 2023
PRIMARY
MERCK INDEX
m1104
Created by admin on Fri Dec 15 16:30:51 UTC 2023 , Edited by admin on Fri Dec 15 16:30:51 UTC 2023
PRIMARY Merck Index
DRUG BANK
DB13857
Created by admin on Fri Dec 15 16:30:51 UTC 2023 , Edited by admin on Fri Dec 15 16:30:51 UTC 2023
PRIMARY
FDA UNII
6E89AM91SZ
Created by admin on Fri Dec 15 16:30:51 UTC 2023 , Edited by admin on Fri Dec 15 16:30:51 UTC 2023
PRIMARY
ChEMBL
CHEMBL2104231
Created by admin on Fri Dec 15 16:30:51 UTC 2023 , Edited by admin on Fri Dec 15 16:30:51 UTC 2023
PRIMARY
WIKIPEDIA
DEMEGESTONE
Created by admin on Fri Dec 15 16:30:52 UTC 2023 , Edited by admin on Fri Dec 15 16:30:52 UTC 2023
PRIMARY
RXCUI
22483
Created by admin on Fri Dec 15 16:30:52 UTC 2023 , Edited by admin on Fri Dec 15 16:30:52 UTC 2023
PRIMARY RxNorm
INN
2935
Created by admin on Fri Dec 15 16:30:51 UTC 2023 , Edited by admin on Fri Dec 15 16:30:51 UTC 2023
PRIMARY
NCI_THESAURUS
C76304
Created by admin on Fri Dec 15 16:30:51 UTC 2023 , Edited by admin on Fri Dec 15 16:30:51 UTC 2023
PRIMARY
ECHA (EC/EINECS)
233-320-6
Created by admin on Fri Dec 15 16:30:51 UTC 2023 , Edited by admin on Fri Dec 15 16:30:51 UTC 2023
PRIMARY
MESH
C011214
Created by admin on Fri Dec 15 16:30:51 UTC 2023 , Edited by admin on Fri Dec 15 16:30:51 UTC 2023
PRIMARY
NSC
118189
Created by admin on Fri Dec 15 16:30:52 UTC 2023 , Edited by admin on Fri Dec 15 16:30:52 UTC 2023
PRIMARY
PUBCHEM
93057
Created by admin on Fri Dec 15 16:30:52 UTC 2023 , Edited by admin on Fri Dec 15 16:30:52 UTC 2023
PRIMARY
EPA CompTox
DTXSID20878581
Created by admin on Fri Dec 15 16:30:51 UTC 2023 , Edited by admin on Fri Dec 15 16:30:51 UTC 2023
PRIMARY
Related Record Type Details
TARGET->ANALOGUE
Related Record Type Details
ACTIVE MOIETY