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Substance Name: 7beta-NBD-NCT
RN: 124882-57-1
InChIKey: OPHJSJAUIOZCAY-BXUBCPGOSA-N

Molecular Formula

  • C32-H47-N5-O9-S

Molecular Weight

  • 677.815
 
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Names and Synonyms

Results Name

  • 7beta-NBD-NCT

Name of Substance

  • (N-(7-(Nitrobenz-2-oxa-1,3-diazol-4-yl))-7-amino-3alpha,12alpha-dihydroxycholan-24-oyl)-2-aminoethanesulfonate

Synonyms

  • 2-(((3alpha,5beta,7beta,12alpha)-3,12-dihydroxy-7-((7-nitro-4-benzofurazanyl)amino)-24-oxocholan-24-yl)amino)ethanesulfonic acid
  • 7beta-NBD-NCT
  • Nitrobenzoxadiazol-N-cholytaurine

Systematic Name

  • Ethanesulfonic acid, 2-(((3alpha,5beta,7beta,12alpha)-3,12-dihydroxy-7-((7-nitro-4-benzofurazanyl)amino)-24-oxocholan-24-yl)amino)-

Registry Numbers

CAS Registry Number

  • 124882-57-1

System Generated Number

  • 0124882571

Structure Descriptors

InChI

1S/C32H47N5O9S/c1-17(4-9-27(40)33-12-13-47(43,44)45)20-5-6-21-28-22(16-26(39)32(20,21)3)31(2)11-10-19(38)14-18(31)15-24(28)34-23-7-8-25(37(41)42)30-29(23)35-46-36-30/h7-8,17-22,24,26,28,34,38-39H,4-6,9-16H2,1-3H3,(H,33,40)(H,43,44,45)/t17-,18+,19-,20-,21?,22?,24+,26+,28?,31+,32-/m1/s1

InChIKey

OPHJSJAUIOZCAY-BXUBCPGOSA-N

Smiles

C(CNC(CC[C@H]([C@H]1CC[C@@H]2[C@@H]3[C@H](C[C@@H]4C[C@@H](CC[C@@]4([C@@H]3C[C@@H]([C@@]12C)O)C)O)Nc1c2nonc2c(cc1)[N+](=O)[O-])C)=O)S(=O)(=O)O