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Chemical structure of RPR132595A

GC61254

RPR132595A

Also known as [(19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl] 4-aminopiperidine-1-carboxylate

RPR132595A (NPC) is an active metabolite of CPT-11, which is generated by cytochrome P-450 3A4 (CYP3A4) and finally excreted through urine

ChemicalCAS185304-42-1MW518.56FormulaC28H30N4O6
CAS number
185304-42-1
Molecular weight
518.56
Formula
C28H30N4O6
InChIKey
APWFTHDYKJHNEV-NDEPHWFRSA-N
Catalogue number
GC61254
Brand
GLPBIO
Computed properties PubChem CID 11756356 · XLogP 1.2 · TPSA 135 Ų · H-bond donors 2
XLogP
1.2
TPSA
135 Ų
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
4
Heavy atoms
38

SMILES CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N

Computed descriptors from PubChem (CID 11756356), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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