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Details

Stereochemistry ABSOLUTE
Molecular Formula C14H23NO4S
Molecular Weight 301.4033
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TAPENTADOL O-SULFATE

SMILES

CC[C@]([H])([C@@]([H])(C)CN(C)C)c1cccc(c1)OS(=O)(=O)O

InChI

InChIKey=HPEFZESOUVTBSA-SMDDNHRTSA-N
InChI=1S/C14H23NO4S/c1-5-14(11(2)10-15(3)4)12-7-6-8-13(9-12)19-20(16,17)18/h6-9,11,14H,5,10H2,1-4H3,(H,16,17,18)/t11-,14+/m0/s1

HIDE SMILES / InChI

Molecular Formula C14H23NO4S
Molecular Weight 301.4033
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 11:44:36 UTC 2021
Edited
by admin
on Sat Jun 26 11:44:36 UTC 2021
Record UNII
C58UXA8H1G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TAPENTADOL O-SULFATE
Common Name English
PHENOL, 3-((1R,2R)-3-(DIMETHYLAMINO)-1-ETHYL-2-METHYLPROPYL)-, 1-(HYDROGEN SULFATE)
Systematic Name English
Code System Code Type Description
CAS
1300037-87-9
Created by admin on Sat Jun 26 11:44:36 UTC 2021 , Edited by admin on Sat Jun 26 11:44:36 UTC 2021
PRIMARY
FDA UNII
C58UXA8H1G
Created by admin on Sat Jun 26 11:44:36 UTC 2021 , Edited by admin on Sat Jun 26 11:44:36 UTC 2021
PRIMARY
PUBCHEM
71752327
Created by admin on Sat Jun 26 11:44:36 UTC 2021 , Edited by admin on Sat Jun 26 11:44:36 UTC 2021
PRIMARY
EPA CompTox
1300037-87-9
Created by admin on Sat Jun 26 11:44:36 UTC 2021 , Edited by admin on Sat Jun 26 11:44:36 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE INACTIVE
no clinically relevant active metabolites
MINOR
URINE