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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H25NO4S
Molecular Weight 351.46
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ESTRADIOL SULFAMATE

SMILES

C[C@]12CC[C@H]3[C@@H](CCC4=CC(OS(N)(=O)=O)=CC=C34)[C@@H]1CC[C@@H]2O

InChI

InChIKey=YXYXCSOJKUAPJI-ZBRFXRBCSA-N
InChI=1S/C18H25NO4S/c1-18-9-8-14-13-5-3-12(23-24(19,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,20H,2,4,6-9H2,1H3,(H2,19,21,22)/t14-,15-,16+,17+,18+/m1/s1

HIDE SMILES / InChI

Molecular Formula C18H25NO4S
Molecular Weight 351.46
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 00:55:36 GMT 2025
Edited
by admin
on Wed Apr 02 00:55:36 GMT 2025
Record UNII
WO55ODW08Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
E2MATE
Preferred Name English
ESTRADIOL SULFAMATE
Common Name English
ESTRA-1,3,5(10)-TRIENE-3,17-DIOL (17.BETA.)-, 3-SULFAMATE
Common Name English
ZK190628
Code English
ZK-190628
Code English
J-995
Code English
ESTRADIOL 3-SULFAMATE
Common Name English
PGL-2001
Code English
PGL2001
Code English
J995
Code English
BLE-00084
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID801337121
Created by admin on Wed Apr 02 00:55:36 GMT 2025 , Edited by admin on Wed Apr 02 00:55:36 GMT 2025
PRIMARY
SMS_ID
300000042599
Created by admin on Wed Apr 02 00:55:36 GMT 2025 , Edited by admin on Wed Apr 02 00:55:36 GMT 2025
PRIMARY
CAS
172377-52-5
Created by admin on Wed Apr 02 00:55:36 GMT 2025 , Edited by admin on Wed Apr 02 00:55:36 GMT 2025
PRIMARY
FDA UNII
WO55ODW08Z
Created by admin on Wed Apr 02 00:55:36 GMT 2025 , Edited by admin on Wed Apr 02 00:55:36 GMT 2025
PRIMARY
PUBCHEM
6918339
Created by admin on Wed Apr 02 00:55:36 GMT 2025 , Edited by admin on Wed Apr 02 00:55:36 GMT 2025
PRIMARY
DRUG BANK
DB06597
Created by admin on Wed Apr 02 00:55:36 GMT 2025 , Edited by admin on Wed Apr 02 00:55:36 GMT 2025
PRIMARY
WIKIPEDIA
Estradiol sulfamate
Created by admin on Wed Apr 02 00:55:36 GMT 2025 , Edited by admin on Wed Apr 02 00:55:36 GMT 2025
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY