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

Details

Stereochemistry ABSOLUTE
Molecular Formula C26H36N2O12S
Molecular Weight 600.635
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(2-(((1R)-2-(3-(AMINOSULFONYL)-4-METHOXYPHENYL)-1-METHYLETHYL)AMINO)ETHOXY)-4-ETHOXYPHENYL .BETA.-D-GLUCOPYRANOSIDURONIC ACID

SMILES

CCOC1=C(OCCN[C@H](C)CC2=CC(=C(OC)C=C2)S(N)(=O)=O)C=C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C=C1

InChI

InChIKey=CWFKGKKDJKVLTL-LVGJANFBSA-N
InChI=1S/C26H36N2O12S/c1-4-37-17-8-6-16(39-26-23(31)21(29)22(30)24(40-26)25(32)33)13-19(17)38-10-9-28-14(2)11-15-5-7-18(36-3)20(12-15)41(27,34)35/h5-8,12-14,21-24,26,28-31H,4,9-11H2,1-3H3,(H,32,33)(H2,27,34,35)/t14-,21+,22+,23-,24+,26-/m1/s1

HIDE SMILES / InChI

Molecular Formula C26H36N2O12S
Molecular Weight 600.635
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 Thu Jul 06 23:19:36 UTC 2023
Edited
by admin
on Thu Jul 06 23:19:36 UTC 2023
Record UNII
I0T9MX48ZE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(2-(((1R)-2-(3-(AMINOSULFONYL)-4-METHOXYPHENYL)-1-METHYLETHYL)AMINO)ETHOXY)-4-ETHOXYPHENYL .BETA.-D-GLUCOPYRANOSIDURONIC ACID
Systematic Name English
TAMSULOSIN METABOLITE M-3-GLUCURONIDE
Common Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 3-(2-(((1R)-2-(3-(AMINOSULFONYL)-4-METHOXYPHENYL)-1-METHYLETHYL)AMINO)ETHOXY)-4-ETHOXYPHENYL
Systematic Name English
Code System Code Type Description
FDA UNII
I0T9MX48ZE
Created by admin on Thu Jul 06 23:19:36 UTC 2023 , Edited by admin on Thu Jul 06 23:19:36 UTC 2023
PRIMARY
PUBCHEM
154731644
Created by admin on Thu Jul 06 23:19:36 UTC 2023 , Edited by admin on Thu Jul 06 23:19:36 UTC 2023
PRIMARY
CAS
176223-37-3
Created by admin on Thu Jul 06 23:19:36 UTC 2023 , Edited by admin on Thu Jul 06 23:19:36 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
URINE
PARENT -> METABOLITE
PLASMA