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Chemical structure of Duocarmycin TM

GC32187

Duocarmycin TM

Also known as [(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-(5,6,7-trimethoxy-1H-indol-2-yl)methanone

Duocarmycin TM (CBI-TMI) is a potent antitumor antibiotic· Duocarmycin TM induces a sequence-selective alkylation of duplex DNA

ChemicalCAS157922-77-5MW466.91FormulaC25H23ClN2O5
CAS number
157922-77-5
Molecular weight
466.91
Formula
C25H23ClN2O5
Solubility
DMSO : ≥ 50 mg/mL (107·09 mM);Water : < 0·1 mg/mL (insoluble)
InChIKey
NRHDGIYFJJUFKN-CQSZACIVSA-N
Catalogue number
GC32187
Brand
GLPBIO
Computed properties PubChem CID 394851 · XLogP 4.6 · TPSA 84 Ų · H-bond donors 2
XLogP
4.6
TPSA
84 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
33

SMILES COC1=C(C(=C2C(=C1)C=C(N2)C(=O)N3C[C@H](C4=C3C=C(C5=CC=CC=C54)O)CCl)OC)OC

Computed descriptors from PubChem (CID 394851), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Pricing
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Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
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