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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H30ClN3O8
Molecular Weight 475.921
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METOCLOPRAMIDE N4-GLUCURONIDE

SMILES

CCN(CC)CCNC(=O)C1=C(OC)C=C(N[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C(Cl)=C1

InChI

InChIKey=SOHPSIDRULBFFB-YUAHOQAQSA-N
InChI=1S/C20H30ClN3O8/c1-4-24(5-2)7-6-22-18(28)10-8-11(21)12(9-13(10)31-3)23-19-16(27)14(25)15(26)17(32-19)20(29)30/h8-9,14-17,19,23,25-27H,4-7H2,1-3H3,(H,22,28)(H,29,30)/t14-,15-,16+,17-,19+/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H30ClN3O8
Molecular Weight 475.921
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 16:10:45 UTC 2023
Edited
by admin
on Sat Dec 16 16:10:45 UTC 2023
Record UNII
9DP6BA44CM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METOCLOPRAMIDE N4-GLUCURONIDE
Common Name English
GLUCOPYRANURONIC ACID, 1-(6-CHLORO-4-((2-(DIETHYLAMINO)ETHYL)CARBAMOYL)-M-ANISIDINO)-1-DEOXY-, .BETA.-D-
Systematic Name English
.BETA.-D-GLUCOPYRANURONIC ACID, 1-((2-CHLORO-4-(((2-(DIETHYLAMINO)ETHYL)AMINO)CARBONYL)-5-METHOXYPHENYL)AMINO)-1-DEOXY-
Systematic Name English
1-((2-CHLORO-4-(((2-(DIETHYLAMINO)ETHYL)AMINO)CARBONYL)-5-METHOXYPHENYL)AMINO)-1-DEOXY-.BETA.-D-GLUCOPYRANURONIC ACID
Systematic Name English
METOCLOPRAMIDE METABOLITE M7
Common Name English
Code System Code Type Description
PUBCHEM
71750715
Created by admin on Sat Dec 16 16:10:45 UTC 2023 , Edited by admin on Sat Dec 16 16:10:45 UTC 2023
PRIMARY
EPA CompTox
DTXSID60858120
Created by admin on Sat Dec 16 16:10:45 UTC 2023 , Edited by admin on Sat Dec 16 16:10:45 UTC 2023
PRIMARY
CAS
27313-54-8
Created by admin on Sat Dec 16 16:10:45 UTC 2023 , Edited by admin on Sat Dec 16 16:10:45 UTC 2023
PRIMARY
FDA UNII
9DP6BA44CM
Created by admin on Sat Dec 16 16:10:45 UTC 2023 , Edited by admin on Sat Dec 16 16:10:45 UTC 2023
PRIMARY
Related Record Type Details
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