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Details

Stereochemistry EPIMERIC
Molecular Formula C23H27ClN2O8S
Molecular Weight 526.987
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 6
E/Z Centers 0
Charge 0
Stereo Comments Stereochemistry at sulfoxide unknown

SHOW SMILES / InChI
Structure of 7-HYDROXYCHLORPROMAZINE SULFOXIDE GLUCURONIDE

SMILES

[H][C@@]4(OC1=CC=C2N(CCCN(C)C)C3=C(C=CC(Cl)=C3)[S+]([O-])C2=C1)O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O

InChI

InChIKey=RCPGKHCGDNTZFC-GUOZVAJKSA-N
InChI=1S/C23H27ClN2O8S/c1-25(2)8-3-9-26-14-6-5-13(11-17(14)35(32)16-7-4-12(24)10-15(16)26)33-23-20(29)18(27)19(28)21(34-23)22(30)31/h4-7,10-11,18-21,23,27-29H,3,8-9H2,1-2H3,(H,30,31)/t18-,19-,20+,21-,23+,35?/m0/s1

HIDE SMILES / InChI

Molecular Formula C23H27ClN2O8S
Molecular Weight 526.987
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 13:57:09 GMT 2023
Edited
by admin
on Sat Dec 16 13:57:09 GMT 2023
Record UNII
WC539X9GR2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
7-HYDROXYCHLORPROMAZINE SULFOXIDE GLUCURONIDE
Common Name English
7-OGLU-CPZ-SO
Common Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 8-CHLORO-10-(3-(DIMETHYLAMINO)PROPYL)-10H-PHENOTHIAZIN-3-YL, S-OXIDE
Systematic Name English
Code System Code Type Description
PUBCHEM
156028135
Created by admin on Sat Dec 16 13:57:09 GMT 2023 , Edited by admin on Sat Dec 16 13:57:09 GMT 2023
PRIMARY
FDA UNII
WC539X9GR2
Created by admin on Sat Dec 16 13:57:09 GMT 2023 , Edited by admin on Sat Dec 16 13:57:09 GMT 2023
PRIMARY
CAS
52247-95-7
Created by admin on Sat Dec 16 13:57:09 GMT 2023 , Edited by admin on Sat Dec 16 13:57:09 GMT 2023
PRIMARY
EPA CompTox
DTXSID901116152
Created by admin on Sat Dec 16 13:57:09 GMT 2023 , Edited by admin on Sat Dec 16 13:57:09 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE