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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 of SECO-DUOCARMYCIN

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

Approval Year

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
PRIMARY
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
PRIMARY
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
PRIMARY