DUBA

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H22N4O4
Molecular Weight	490.5094
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=CC=CC2=C1[C@@]34C[C@@H]3CN(C(=O)C5=CN6C=C(NC(=O)C7=CC=C(O)C=C7)C=CC6=N5)C4=CC2=O

InChI

InChIKey=MWZTVLNYXAKUKY-LBEKAKSKSA-N

InChI=1S/C29H22N4O4/c1-16-3-2-4-21-23(35)11-24-29(26(16)21)12-18(29)13-33(24)28(37)22-15-32-14-19(7-10-25(32)31-22)30-27(36)17-5-8-20(34)9-6-17/h2-11,14-15,18,34H,12-13H2,1H3,(H,30,36)/t18-,29+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C29H22N4O4
Molecular Weight	490.5094
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 `Sat Dec 16 14:42:59 GMT 2023` Edited by `admin` on `Sat Dec 16 14:42:59 GMT 2023`
Record UNII	LU3A693LFA
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DUBA

Common Name

English

BENZAMIDE, N-(2-(((8BR,9AS)-9,9A-DIHYDRO-8-METHYL-4-OXO-1H-BENZO(E)CYCLOPROP(C)INDOL-2(4H)-YL)CARBONYL)IMIDAZO(1,2-A)PYRIDIN-6-YL)-4-HYDROXY-

Systematic Name

English

N-(2-(((8BR,9AS)-9,9A-DIHYDRO-8-METHYL-4-OXO-1H-BENZO(E)CYCLOPROP(C)INDOL-2(4H)-YL)CARBONYL)IMIDAZO(1,2-A)PYRIDIN-6-YL)-4-HYDROXYBENZAMIDE

Systematic Name

English

Code System Code Type Description

PUBCHEM

91754535

Created by admin on Sat Dec 16 14:42:59 GMT 2023 , Edited by admin on Sat Dec 16 14:42:59 GMT 2023

PRIMARY

SMS_ID

300000005261

Created by admin on Sat Dec 16 14:42:59 GMT 2023 , Edited by admin on Sat Dec 16 14:42:59 GMT 2023

PRIMARY

FDA UNII

LU3A693LFA

Created by admin on Sat Dec 16 14:42:59 GMT 2023 , Edited by admin on Sat Dec 16 14:42:59 GMT 2023

PRIMARY

CAS

1642147-15-6

Created by admin on Sat Dec 16 14:42:59 GMT 2023 , Edited by admin on Sat Dec 16 14:42:59 GMT 2023

PRIMARY

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