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Chemical structure of Intoplicine dimesylate

GC63354

Intoplicine dimesylate

Also known as 16-[3-(dimethylamino)propylamino]-13-methyl-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaen-5-ol;methanesulfonic acid

Intoplicine (RP 60475) dimesylate, an antitumor derivative in the 7H-benzo[e]pyrido[4,3-b]indole series, is a DNA topoisomerase I and II inhibitor· Intoplicine dimesylate strongly binds DNA (KA = 2 x 105 /M) and thereby increases the length of linear DNA

ChemicalCAS133711-99-6MW540.65FormulaC23H32N4O7S2
CAS number
133711-99-6
Molecular weight
540.65
Formula
C23H32N4O7S2
Solubility
DMSO : 115 mg/mL (212·71 mM; Need ultrasonic)
InChIKey
JAUYMMJDKJISLX-UHFFFAOYSA-N
Catalogue number
GC63354
Brand
GLPBIO
Computed properties PubChem CID 3086634 · TPSA 190 Ų · H-bond donors 5 · H-bond acceptors 10
TPSA
190 Ų
H-bond donors
5
H-bond acceptors
10
Rotatable bonds
5
Heavy atoms
36

SMILES CC1=CN=C(C2=C1NC3=C2C4=C(C=C3)C=C(C=C4)O)NCCCN(C)C.CS(=O)(=O)O.CS(=O)(=O)O

Computed descriptors from PubChem (CID 3086634), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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