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

Details

Stereochemistry ABSOLUTE
Molecular Formula C19H29NO7
Molecular Weight 383.4361
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-DEMETHYLTAPENTADOL-O-GLUCURONIDE

SMILES

CC[C@H]([C@@H](C)CNC)C1=CC=CC(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)=C1

InChI

InChIKey=NZXQRBQRSILIIJ-WDRIRZBNSA-N
InChI=1S/C19H29NO7/c1-4-13(10(2)9-20-3)11-6-5-7-12(8-11)26-19-16(23)14(21)15(22)17(27-19)18(24)25/h5-8,10,13-17,19-23H,4,9H2,1-3H3,(H,24,25)/t10-,13+,14-,15-,16+,17-,19+/m0/s1

HIDE SMILES / InChI

Molecular Formula C19H29NO7
Molecular Weight 383.4361
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:03:57 UTC 2023
Edited
by admin
on Sat Dec 16 09:03:57 UTC 2023
Record UNII
GBW941TPVE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-DEMETHYLTAPENTADOL-O-GLUCURONIDE
Common Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 3-((1R,2R)-1-ETHYL-2-METHYL-3-(METHYLAMINO)PROPYL)PHENYL
Systematic Name English
N-DESMETHYL TAPENTADOL O-.BETA.-D-GLUCURONIDE
Common Name English
Code System Code Type Description
FDA UNII
GBW941TPVE
Created by admin on Sat Dec 16 09:03:58 UTC 2023 , Edited by admin on Sat Dec 16 09:03:58 UTC 2023
PRIMARY
PUBCHEM
71315793
Created by admin on Sat Dec 16 09:03:58 UTC 2023 , Edited by admin on Sat Dec 16 09:03:58 UTC 2023
PRIMARY
CAS
1300037-84-6
Created by admin on Sat Dec 16 09:03:58 UTC 2023 , Edited by admin on Sat Dec 16 09:03:58 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE INACTIVE
URINE