Cholyl-1,3-diaminopropane

Cholyl-1,3-diaminopropane is a polyamine bile amidate. It has been used as a standard for the detection of endogenous bile acid amidates in mammalian intestinal and fecal samples.Formal Name: (5beta)-N-(3-aminopropyl)-3alpha,7alpha,12alpha-trihydroxy-cholan-24-amide. CAS Number: 136533-45-4. Molecular Formula: C27H48N2O4. Formula Weight: 464.7. Purity: >95%. Formulation: (Request formulation change), A solid. Solubility: DMSO: Sparingly Soluble: 1-10 mg/ml, Ethanol: Soluble: >10 mg/ml, PBS (pH 7.2): Soluble: >10 mg/ml. SMILES: O[C@@H]1CC[C@@]2(C)[C@@](C[C@@H](O)[C@]3([H])[C@]2([H])C[C@H](O)[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@H](C)CCC(NCCCN)=O)([H])C1. InChi Code: InChI=1S/C27H48N2O4/c1-16(5-8-24(33)29-12-4-11-28)19-6-7-20-25-21(15-23(32)27(19,20)3)26(2)10-9-18(30)13-17(26)14-22(25)31/h16-23,25,30-32H,4-15,28H2,1-3H3,(H,29,33)/t16-,17+,18-,19-,20+,21+,22-,23+,25+,26+,27-/m1/s1. InChi Key: VRBWTKOMEDBRIN-OCCHXLOTSA-N.