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Chemical structure of Ansamitocin P-3

GC11947

Ansamitocin P-3

Also known as [(1S,2R,3S,5S,6S,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] butanoate

A microtubule depolymerizing agent

ChemicalCAS66547-09-9MW635.14FormulaC32H43ClN2O9
CAS number
66547-09-9
Molecular weight
635.14
Formula
C32H43ClN2O9
Solubility
≥ 31·75 mg/mL in DMSO, ≥ 33·73 mg/mL in EtOH with ultrasonic and warming
InChIKey
WLKHTIAFMSHJLG-PTRRAWDFSA-N
Catalogue number
GC11947
Brand
GLPBIO
Computed properties PubChem CID 5746018 · XLogP 2.9 · TPSA 136 Ų · H-bond donors 2
XLogP
2.9
TPSA
136 Ų
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
6
Heavy atoms
44

SMILES CCCC(=O)O[C@H]1CC(=O)N(C2=C(C(=CC(=C2)CC(=CC=C[C@H]([C@]3(C[C@@H]([C@H]([C@H]4[C@]1(O4)C)C)OC(=O)N3)O)OC)C)OC)Cl)C

Computed descriptors from PubChem (CID 5746018), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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