2-Hydroxy desipramine glucuronide

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

Structure Search

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

Molecular Formula	C24H30N2O7
Molecular Weight	458.5042
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 19:53:36 GMT 2023` Edited by `admin` on `Sat Dec 16 19:53:36 GMT 2023`
Record UNII	QRM5GK6JXU
Record Status	`Validated (UNII)`
Record Version

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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

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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

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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

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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

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