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Substance Name: BRL 39924A
RN: 131221-62-0
InChIKey: APFOLQPXZRHTLE-YGSHSALASA-M

Note

  • Cationic piperazine conjugate of lithocholic acid.

Molecular Weight

  • 799.691
 
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Names and Synonyms

Name of Substance

  • BRL 39924A

Synonym

  • Brl-39924A

Registry Numbers

CAS Registry Number

  • 131221-62-0

System Generated Number

  • 0131221620

Structure Descriptors

InChI

1S/C34H62N3O2.2HI/c1-25(8-13-32(39)35-18-7-19-37(6)22-20-36(4,5)21-23-37)29-11-12-30-28-10-9-26-24-27(38)14-16-33(26,2)31(28)15-17-34(29,30)3;;/h25-31,38H,7-24H2,1-6H3;2*1H/q+1;;/p-1/t25-,26-,27-,28?,29-,30?,31?,33+,34-;;/m1../s1

InChIKey

APFOLQPXZRHTLE-YGSHSALASA-M

Smiles

[IH-].[N+]1(CC[N+](CC1)(C)CCCNC(CC[C@H]([C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@@H](CC[C@@]4([C@@H]3CC[C@@]12C)C)O)C)=O)(C)C.[IH-]