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

Details

Stereochemistry ABSOLUTE
Molecular Formula C24H27N5O10
Molecular Weight 545.4987
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PRAZOSIN 6O-GLUCURONIDE

SMILES

COC1=CC2=NC(=NC(N)=C2C=C1O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)N4CCN(CC4)C(=O)C5=CC=CO5

InChI

InChIKey=XLRYJRVAVIWCAF-XYLMYFKBSA-N
InChI=1S/C24H27N5O10/c1-36-14-10-12-11(9-15(14)38-23-18(32)16(30)17(31)19(39-23)22(34)35)20(25)27-24(26-12)29-6-4-28(5-7-29)21(33)13-3-2-8-37-13/h2-3,8-10,16-19,23,30-32H,4-7H2,1H3,(H,34,35)(H2,25,26,27)/t16-,17-,18+,19-,23+/m0/s1

HIDE SMILES / InChI

Molecular Formula C24H27N5O10
Molecular Weight 545.4987
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:18:52 GMT 2023
Edited
by admin
on Sat Dec 16 16:18:52 GMT 2023
Record UNII
XEB020ANM7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PRAZOSIN 6O-GLUCURONIDE
Common Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 4-AMINO-2-(4-(2-FURANYLCARBONYL)-1-PIPERAZINYL)-7-METHOXYQUINAZOLIN-6-YL
Systematic Name English
PRAZOSIN METABOLITE M11
Common Name English
4-AMINO-2-(4-(2-FURANYLCARBONYL)-1-PIPERAZINYL)-7-METHOXYQUINAZOLIN-6-YL .BETA.-D-GLUCOPYRANOSIDURONIC ACID
Systematic Name English
Code System Code Type Description
FDA UNII
XEB020ANM7
Created by admin on Sat Dec 16 16:18:52 GMT 2023 , Edited by admin on Sat Dec 16 16:18:52 GMT 2023
PRIMARY
PUBCHEM
154731571
Created by admin on Sat Dec 16 16:18:52 GMT 2023 , Edited by admin on Sat Dec 16 16:18:52 GMT 2023
PRIMARY
CAS
944943-74-2
Created by admin on Sat Dec 16 16:18:52 GMT 2023 , Edited by admin on Sat Dec 16 16:18:52 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE TOXIC
IN VITRO