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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H30N2O7
Molecular Weight 458.5042
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-Hydroxy desipramine glucuronide

SMILES

CNCCCN1C2=CC=CC=C2CCC3=CC(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)=CC=C13

InChI

InChIKey=XJHAOJJEVSPMBA-QMDPOKHVSA-N
InChI=1S/C24H30N2O7/c1-25-11-4-12-26-17-6-3-2-5-14(17)7-8-15-13-16(9-10-18(15)26)32-24-21(29)19(27)20(28)22(33-24)23(30)31/h2-3,5-6,9-10,13,19-22,24-25,27-29H,4,7-8,11-12H2,1H3,(H,30,31)/t19-,20-,21+,22-,24+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
2-Hydroxy desipramine glucuronide
Common Name English
10,11-Dihydro-5-[3-(methylamino)propyl]-5H-dibenz[b,f]azepin-2-yl β-D-glucopyranosiduronic acid
Systematic Name English
2-Hydroxydemethylimipramine glucuronide
Common Name English
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-({2-[3-(methylamino)propyl]-2-azatricyclo[9.4.0.0{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-6-yl}oxy)oxane-2-carboxylic acid
Systematic Name English
2-Hydroxydesmethylimipramine glucuronide
Common Name English
2-Hydroxy desipramine β-D-glucuronide
Common Name English
β-D-Glucopyranosiduronic acid, 10,11-dihydro-5-[3-(methylamino)propyl]-5H-dibenz[b,f]azepin-2-yl
Systematic Name English
(2R,3S,4R,5S,6R)-6-((11-(3-(METHYLAMINO)PROPYL)-5,6-DIHYDROBENZO(B)(1)BENZAZEPIN-3-YL)OXY)-3,4,5-TRIS(OXIDANYL)OXANE-2-CARBOXYLIC ACID
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID70948425
Created by admin on Sat Dec 16 19:53:36 GMT 2023 , Edited by admin on Sat Dec 16 19:53:36 GMT 2023
PRIMARY
FDA UNII
QRM5GK6JXU
Created by admin on Sat Dec 16 19:53:36 GMT 2023 , Edited by admin on Sat Dec 16 19:53:36 GMT 2023
PRIMARY
PUBCHEM
71748973
Created by admin on Sat Dec 16 19:53:36 GMT 2023 , Edited by admin on Sat Dec 16 19:53:36 GMT 2023
PRIMARY
CAS
25521-31-7
Created by admin on Sat Dec 16 19:53:36 GMT 2023 , Edited by admin on Sat Dec 16 19:53:36 GMT 2023
PRIMARY