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

Details

Stereochemistry ABSOLUTE
Molecular Formula C22H29NO3
Molecular Weight 355.4714
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PNU-200579

SMILES

CC(C)N(CC[C@]([H])(c1ccccc1)c2cc(ccc2O)C(=O)O)C(C)C

InChI

InChIKey=NKTNTJFTBRPQIZ-LJQANCHMSA-N
InChI=1S/C22H29NO3/c1-15(2)23(16(3)4)13-12-19(17-8-6-5-7-9-17)20-14-18(22(25)26)10-11-21(20)24/h5-11,14-16,19,24H,12-13H2,1-4H3,(H,25,26)/t19-/m1/s1

HIDE SMILES / InChI

Molecular Formula C22H29NO3
Molecular Weight 355.4714
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 07:20:24 UTC 2021
Edited
by admin
on Sat Jun 26 07:20:24 UTC 2021
Record UNII
X36M6M5D8A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PNU-200579
Common Name English
CARBOXY DESFESOTERODINE
Common Name English
TOLTERODINE 5-CARBOXYLIC ACID
Common Name English
SPM-5509
Code English
BENZOIC ACID, 3-((1R)-3-(BIS(1-METHYLETHYL)AMINO)-1-PHENYLPROPYL)-4-HYDROXY-
Systematic Name English
TOLTERODINE ACID
Common Name English
Code System Code Type Description
PUBCHEM
12049181
Created by admin on Sat Jun 26 07:20:25 UTC 2021 , Edited by admin on Sat Jun 26 07:20:25 UTC 2021
PRIMARY
CAS
194482-44-5
Created by admin on Sat Jun 26 07:20:25 UTC 2021 , Edited by admin on Sat Jun 26 07:20:25 UTC 2021
PRIMARY
FDA UNII
X36M6M5D8A
Created by admin on Sat Jun 26 07:20:25 UTC 2021 , Edited by admin on Sat Jun 26 07:20:25 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
URINE
PARENT -> METABOLITE INACTIVE
PLASMA
PARENT -> METABOLITE INACTIVE
URINE
PARENT -> METABOLITE INACTIVE
PLASMA; URINE
PARENT -> METABOLITE INACTIVE
FECAL