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

Details

Stereochemistry ABSOLUTE
Molecular Formula C19H26O6S
Molecular Weight 382.471
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7-KETODEHYDROEPIANDROSTERONE SULFATE

SMILES

[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]3([H])[C@@]2([H])C(=O)C=C4C[C@H](CC[C@]34C)OS(O)(=O)=O

InChI

InChIKey=LOQLFQHJYJBJRP-GINZOMEDSA-N
InChI=1S/C19H26O6S/c1-18-7-5-12(25-26(22,23)24)9-11(18)10-15(20)17-13-3-4-16(21)19(13,2)8-6-14(17)18/h10,12-14,17H,3-9H2,1-2H3,(H,22,23,24)/t12-,13-,14-,17-,18-,19-/m0/s1

HIDE SMILES / InChI

Molecular Formula C19H26O6S
Molecular Weight 382.471
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:48:53 GMT 2023
Edited
by admin
on Sat Dec 16 11:48:53 GMT 2023
Record UNII
KDZ5JN125F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
7-KETODEHYDROEPIANDROSTERONE SULFATE
Common Name English
ANDROST-5-ENE-7,17-DIONE, 3-(SULFOOXY)-, (3.BETA.)-
Systematic Name English
7-OXODEHYDROEPIANDROSTERONE SULFATE
Common Name English
ANDROST-5-ENE-7,17-DIONE, 3.BETA.-HYDROXY-, HYDROGEN SULFATE
Systematic Name English
J1.061.391D
Code English
7-OXO-5,6-DEHYDROEPIANDROSTERONE SULFATE
Common Name English
(3.BETA.)-3-(SULFOOXY)ANDROST-5-ENE-7,17-DIONE
Systematic Name English
Code System Code Type Description
PUBCHEM
54044549
Created by admin on Sat Dec 16 11:48:53 GMT 2023 , Edited by admin on Sat Dec 16 11:48:53 GMT 2023
PRIMARY
CAS
4121-96-4
Created by admin on Sat Dec 16 11:48:53 GMT 2023 , Edited by admin on Sat Dec 16 11:48:53 GMT 2023
PRIMARY
FDA UNII
KDZ5JN125F
Created by admin on Sat Dec 16 11:48:53 GMT 2023 , Edited by admin on Sat Dec 16 11:48:53 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
Plasma concentrations 12 hours after the 3.beta.-acetyl-7-oxo-DHEA dose at 7 and 28 days on the 200 mg/d dose were 15.8 and 16.3 mcg/L respectively (n=16).
IN-VIVO
PLASMA