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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H23ClN2O7S
Molecular Weight 482.935
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7-HYDROXYDIDEMETHYLCHLORPROMAZINE GLUCURONIDE

SMILES

[H][C@@]4(OC1=CC=C2N(CCCN)C3=C(SC2=C1)C=CC(Cl)=C3)O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O

InChI

InChIKey=XWBUNTLAAJOGNQ-ZFORQUDYSA-N
InChI=1S/C21H23ClN2O7S/c22-10-2-5-14-13(8-10)24(7-1-6-23)12-4-3-11(9-15(12)32-14)30-21-18(27)16(25)17(26)19(31-21)20(28)29/h2-5,8-9,16-19,21,25-27H,1,6-7,23H2,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H23ClN2O7S
Molecular Weight 482.935
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 13:57:11 GMT 2023
Edited
by admin
on Sat Dec 16 13:57:11 GMT 2023
Record UNII
FF5BHM455R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
7-HYDROXYDIDEMETHYLCHLORPROMAZINE GLUCURONIDE
Common Name English
7-OGLU-NOR2-CPZ
Common Name English
10-(3-AMINOPROPYL)-8-CHLORO-10H-PHENOTHIAZIN-3-YL .BETA.-D-GLUCOPYRANOSIDURONIC ACID
Systematic Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 10-(3-AMINOPROPYL)-8-CHLORO-10H-PHENOTHIAZIN-3-YL
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID201136034
Created by admin on Sat Dec 16 13:57:12 GMT 2023 , Edited by admin on Sat Dec 16 13:57:12 GMT 2023
PRIMARY
CAS
52247-94-6
Created by admin on Sat Dec 16 13:57:12 GMT 2023 , Edited by admin on Sat Dec 16 13:57:12 GMT 2023
PRIMARY
PUBCHEM
155928779
Created by admin on Sat Dec 16 13:57:12 GMT 2023 , Edited by admin on Sat Dec 16 13:57:12 GMT 2023
PRIMARY
FDA UNII
FF5BHM455R
Created by admin on Sat Dec 16 13:57:12 GMT 2023 , Edited by admin on Sat Dec 16 13:57:12 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE