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Substance Name: CRL-42712
RN: 256384-03-9
UNII: 6R294ODU18
InChIKey: KXMTZJRSRNGQDG-HOFKKMOUSA-N

Molecular Formula

  • C29-H33-Cl-N4-O8-S

Molecular Weight

  • 633.1187
 
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Names and Synonyms

Name of Substance

  • CRL-42712

Synonyms

  • 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, (3S)-1-(2-(((4-chlorophenyl)sulfonyl)amino)ethyl)-3-piperidinyl methyl ester, (4S)-
  • 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 3-((3S)-1-(2-(((4-chlorophenyl)sulfonyl)amino)ethyl)-3-piperidinyl) 5-methyl ester, (4S)-
  • CRL-42712
  • UNII-6R294ODU18

Registry Numbers

CAS Registry Number

  • 256384-03-9

FDA UNII

  • 6R294ODU18

System Generated Number

  • 0256384039

Structure Descriptors

InChI

1S/C29H33ClN4O8S/c1-18-25(28(35)41-3)27(20-6-4-7-22(16-20)34(37)38)26(19(2)32-18)29(36)42-23-8-5-14-33(17-23)15-13-31-43(39,40)24-11-9-21(30)10-12-24/h4,6-7,9-12,16,23,27,31-32H,5,8,13-15,17H2,1-3H3/t23-,27-/m0/s1

InChIKey

KXMTZJRSRNGQDG-HOFKKMOUSA-N

Smiles

CC1=C([C@@H](C(=C(N1)C)C(=O)O[C@H]2CCCN(C2)CCNS(=O)(=O)c3ccc(cc3)Cl)c4cccc(c4)[N+](=O)[O-])C(=O)OC