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Substance Name: CRL-42723
RN: 256384-04-0
UNII: KHS9X0Y838
InChIKey: KXMTZJRSRNGQDG-KCWPFWIISA-N

Molecular Formula

  • C29-H33-Cl-N4-O8-S

Molecular Weight

  • 633.1187
 
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Names and Synonyms

Name of Substance

  • CRL-42723

Synonyms

  • 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, (3R)-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-((3R)-1-(2-(((4-chlorophenyl)sulfonyl)amino)ethyl)-3-piperidinyl) 5-methyl ester, (4S)-
  • CRL-42723
  • UNII-KHS9X0Y838

Registry Numbers

CAS Registry Number

  • 256384-04-0

FDA UNII

  • KHS9X0Y838

System Generated Number

  • 0256384040

Structure Descriptors

InChI

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+/m1/s1

InChIKey

KXMTZJRSRNGQDG-KCWPFWIISA-N

Smiles

COC(=O)C1=C(C)NC(=C([C@H]1c2cccc(c2)[N+](=O)[O-])C(=O)O[C@@H]3CCCN(CCNS(=O)(=O)c4ccc(Cl)cc4)C3)C