NORTRILOBINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C34H32N2O5
Molecular Weight	548.6283
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=C2OC3=CC=C(C[C@@H]4NCCC5=CC(OC)=C6OC7=C(OC6=C45)C=C8[C@H](CC(C=C1)=C2)NCCC8=C7)C=C3

InChI

InChIKey=IIWFTBFEFXXRQB-UIOOFZCWSA-N

InChI=1S/C34H32N2O5/c1-37-27-8-5-20-14-25-24-18-30-29(16-21(24)9-11-35-25)40-33-31(38-2)17-22-10-12-36-26(32(22)34(33)41-30)13-19-3-6-23(7-4-19)39-28(27)15-20/h3-8,15-18,25-26,35-36H,9-14H2,1-2H3/t25-,26-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C34H32N2O5
Molecular Weight	548.6283
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 18:55:19 GMT 2025` Edited by `admin` on `Mon Mar 31 18:55:19 GMT 2025`
Record UNII	N1SJ5EBX4U
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N2'-DEMETHYLTRILOBINE

Preferred Name

English

NORTRILOBINE

Common Name

English

2H-22,26-EPOXY-1,24:12,15-DIETHENO-6,10-METHENO-16H-PYRIDO(2',3':17,18)(1,10)DIOXACYCLOEICOSINO(2,3,4-IJ)ISOQUINOLINE, 3,4,4A,5,16A,17,18,19-OCTAHYDRO-9,21-DIMETHOXY-, (4AS,16AS)-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID60919467

Created by admin on Mon Mar 31 18:55:19 GMT 2025 , Edited by admin on Mon Mar 31 18:55:19 GMT 2025

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PUBCHEM

185140

Created by admin on Mon Mar 31 18:55:19 GMT 2025 , Edited by admin on Mon Mar 31 18:55:19 GMT 2025

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FDA UNII

N1SJ5EBX4U

Created by admin on Mon Mar 31 18:55:19 GMT 2025 , Edited by admin on Mon Mar 31 18:55:19 GMT 2025

PRIMARY

CAS

91897-39-1

Created by admin on Mon Mar 31 18:55:19 GMT 2025 , Edited by admin on Mon Mar 31 18:55:19 GMT 2025

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