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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H29NO7
Molecular Weight 383.4368
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)c1cccc(c1)O[C@@]2([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C(=O)O)O2)O)O)O

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 383.4368
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 Jun 26 06:56:40 UTC 2021
Edited
by admin
on Sat Jun 26 06:56:40 UTC 2021
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 Jun 26 06:56:41 UTC 2021 , Edited by admin on Sat Jun 26 06:56:41 UTC 2021
PRIMARY
PUBCHEM
71315793
Created by admin on Sat Jun 26 06:56:41 UTC 2021 , Edited by admin on Sat Jun 26 06:56:41 UTC 2021
PRIMARY
CAS
1300037-84-6
Created by admin on Sat Jun 26 06:56:41 UTC 2021 , Edited by admin on Sat Jun 26 06:56:41 UTC 2021
PRIMARY
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