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Chemical structure of Becatecarin

GC42912

Becatecarin

Also known as 5,21-dichloro-13-[2-(diethylamino)ethyl]-3-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione

Becatecarin is a water-soluble, diethylaminoethyl analog of the antineoplastic antibiotic rebeccamycin

ChemicalCAS119673-08-4MW669.6FormulaC33H34Cl2N4O7
CAS number
119673-08-4
Molecular weight
669.6
Formula
C33H34Cl2N4O7
Solubility
DMSO： Soluble,Water： Soluble
InChIKey
JSKFWUPVIZYJMR-UDOAKELVSA-N
Catalogue number
GC42912
Brand
GLPBIO
Computed properties PubChem CID 101524 · XLogP 3.6 · TPSA 140 Ų · H-bond donors 4
XLogP
3.6
TPSA
140 Ų
H-bond donors
4
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
46

SMILES CCN(CC)CCN1C(=O)C2=C3C4=C(C(=CC=C4)Cl)NC3=C5C(=C2C1=O)C6=C(N5[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)OC)O)O)C(=CC=C6)Cl

Computed descriptors from PubChem (CID 101524), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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