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Chemical structure of Cholyl-1,3-diaminopropane

GC91515

Cholyl-1,3-diaminopropane

Also known as (4R)-N-(3-aminopropyl)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanamide

Cholyl-1,3-diaminopropane is a polyamine bile amidate

ChemicalCAS136533-45-4MW464.7FormulaC27H48N2O4
CAS number
136533-45-4
Molecular weight
464.7
Formula
C27H48N2O4
Solubility
DMSO： Sparingly Soluble： 1–10 mg/ml,Ethanol： Soluble： ≥10 mg/ml,PBS (pH 7·2)： Soluble： ≥10 mg/ml
InChIKey
VRBWTKOMEDBRIN-OCCHXLOTSA-N
Catalogue number
GC91515
Brand
GLPBIO
Computed properties PubChem CID 102576052 · XLogP 2.7 · TPSA 116 Ų · H-bond donors 5
XLogP
2.7
TPSA
116 Ų
H-bond donors
5
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
33

SMILES C[C@H](CCC(=O)NCCCN)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C

Computed descriptors from PubChem (CID 102576052), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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