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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H30ClN3O9
Molecular Weight 491.9206
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METOCLOPRAMIDE N4-O-GLUCURONIDE

SMILES

CCN(CC)CCN=C(c1cc(c(cc1OC)NO[C@@]2([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C(=O)O)O2)O)O)O)Cl)O

InChI

InChIKey=QMQBXUZTKAFXKY-GHHWKCCRSA-N
InChI=1S/C20H30ClN3O9/c1-4-24(5-2)7-6-22-18(28)10-8-11(21)12(9-13(10)31-3)23-33-20-16(27)14(25)15(26)17(32-20)19(29)30/h8-9,14-17,20,23,25-27H,4-7H2,1-3H3,(H,22,28)(H,29,30)/t14-,15-,16+,17-,20-/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H30ClN3O9
Molecular Weight 491.9206
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 Jun 26 04:53:52 UTC 2021
Edited
by admin
on Sat Jun 26 04:53:52 UTC 2021
Record UNII
ZAZ9ZKZ9BJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METOCLOPRAMIDE N4-O-GLUCURONIDE
Common Name English
.BETA.-D-GLUCOPYRANURONIC ACID, 1-O-((2-CHLORO-4-(((2-(DIETHYLAMINO)ETHYL)AMINO)CARBONYL)-5-METHOXYPHENYL)AMINO)-
Systematic Name English
GLUCOPYRANURONIC ACID, 1-((6-CHLORO-4-((2-(DIETHYLAMINO)ETHYL)CARBAMOYL)-M-ANISIDINO)OXY)-1-DEOXY-, .BETA.-D-
Common Name English
1-O-((2-CHLORO-4-(((2-(DIETHYLAMINO)ETHYL)AMINO)CARBONYL)-5-METHOXYPHENYL)AMINO)-.BETA.-D-GLUCOPYRANURONIC ACID
Systematic Name English
METOCLOPRAMIDE METABOLITE M1
Common Name English
Code System Code Type Description
FDA UNII
ZAZ9ZKZ9BJ
Created by admin on Sat Jun 26 04:53:52 UTC 2021 , Edited by admin on Sat Jun 26 04:53:52 UTC 2021
PRIMARY
CAS
27298-15-3
Created by admin on Sat Jun 26 04:53:52 UTC 2021 , Edited by admin on Sat Jun 26 04:53:52 UTC 2021
PRIMARY
PUBCHEM
154572860
Created by admin on Sat Jun 26 04:53:52 UTC 2021 , Edited by admin on Sat Jun 26 04:53:52 UTC 2021
PRIMARY
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