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Substance Name: N-(7-Nitrobenz-2-oxa-1,3-diazole)-23,24-dinor-5-cholen-22-amine-3beta-ol
RN: 78949-95-8
InChIKey: DLWLXTLRGQWGPC-XIWKFBMMSA-N

Molecular Weight

  • 494.632
 
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Names and Synonyms

Name of Substance

  • N-(7-Nitrobenz-2-oxa-1,3-diazole)-23,24-dinor-5-cholen-22-amine-3beta-ol

Synonym

  • Nbd-dca

Systematic Name

  • Pregn-5-en-3-ol, 20-methyl-21-((7-nitro-4-benzofurazanyl)amino)-, (3beta,20S)-

Registry Numbers

CAS Registry Number

  • 78949-95-8

System Generated Number

  • 0078949958

Structure Descriptors

InChI

1S/C28H38N4O4/c1-16(15-29-23-8-9-24(32(34)35)26-25(23)30-36-31-26)20-6-7-21-19-5-4-17-14-18(33)10-12-27(17,2)22(19)11-13-28(20,21)3/h4,8-9,16,18-22,29,33H,5-7,10-15H2,1-3H3/t16-,18+,19+,20-,21+,22+,27+,28-/m1/s1

InChIKey

DLWLXTLRGQWGPC-XIWKFBMMSA-N

Smiles

C1[C@@H](CC2=CC[C@H]3[C@@H]4CC[C@@H]([C@@H](CNc5ccc(c6c5non6)[N+](=O)[O-])C)[C@@]4(C)CC[C@H]3[C@@]2(C1)C)O