SECO-DUOCARMYCIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H23ClN4O4
Molecular Weight	526.97
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=CC=CC2=C(O)C=C3N(C[C@@H](CCl)C3=C12)C(=O)C4=CN5C=C(NC(=O)C6=CC=C(O)C=C6)C=CC5=N4

InChI

InChIKey=VQAFBYLFRCCWNB-GOSISDBHSA-N

InChI=1S/C29H23ClN4O4/c1-16-3-2-4-21-24(36)11-23-27(26(16)21)18(12-30)13-34(23)29(38)22-15-33-14-19(7-10-25(33)32-22)31-28(37)17-5-8-20(35)9-6-17/h2-11,14-15,18,35-36H,12-13H2,1H3,(H,31,37)/t18-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C29H23ClN4O4
Molecular Weight	526.97
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 10:25:00 GMT 2025` Edited by `admin` on `Wed Apr 02 10:25:00 GMT 2025`
Record UNII	CYF7MUE6JF
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SECO-DUOCARMYCIN

Common Name

English

SECO-DUBA

Preferred Name

English

N-(2-(((1S)-1-(CHLOROMETHYL)-1,2-DIHYDRO-5-HYDROXY-9-METHYL-3H-BENZ(E)INDOL-3-YL)CARBONYL)IMIDAZO(1,2-A)PYRIDIN-6-YL)-4-HYDROXYBENZAMIDE

Systematic Name

English

BENZAMIDE, N-(2-(((1S)-1-(CHLOROMETHYL)-1,2-DIHYDRO-5-HYDROXY-9-METHYL-3H-BENZ(E)INDOL-3-YL)CARBONYL)IMIDAZO(1,2-A)PYRIDIN-6-YL)-4-HYDROXY-

Systematic Name

English

Code System Code Type Description

CAS

1227961-59-2

Created by admin on Wed Apr 02 10:25:00 GMT 2025 , Edited by admin on Wed Apr 02 10:25:00 GMT 2025

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PUBCHEM

46240929

Created by admin on Wed Apr 02 10:25:00 GMT 2025 , Edited by admin on Wed Apr 02 10:25:00 GMT 2025

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FDA UNII

CYF7MUE6JF

Created by admin on Wed Apr 02 10:25:00 GMT 2025 , Edited by admin on Wed Apr 02 10:25:00 GMT 2025

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