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Chemical structure of Carbosulfan

GC32257

Carbosulfan

Also known as (2,2-dimethyl-3H-1-benzofuran-7-yl) N-(dibutylamino)sulfanyl-N-methylcarbamate

Carbosulfan inhibited relatively potently CYP3A4 and moderately CYP1A1/2 and CYP2C19 in pooled HLM (human livers)

ChemicalCAS55285-14-8MW380.54FormulaC20H32N2O3S
CAS number
55285-14-8
Molecular weight
380.54
Formula
C20H32N2O3S
Solubility
DMSO ： ≥ 68 mg/mL (178·69 mM)
InChIKey
JLQUFIHWVLZVTJ-UHFFFAOYSA-N
Catalogue number
GC32257
Brand
GLPBIO
Computed properties PubChem CID 41384 · XLogP 5.7 · TPSA 67.3 Ų · H-bond donors 0
XLogP
5.7
TPSA
67.3 Ų
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
10
Heavy atoms
26

SMILES CCCCN(CCCC)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C

Computed descriptors from PubChem (CID 41384), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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