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Substance Name: 25-((7-Chloro-4-nitrobenz-2-oxa-1,3-diazole)methylamino)-27-norcholesterol
RN: 105539-27-3
InChIKey: RMGLSQAGXRZCPZ-OVHOIDCTSA-N

Molecular Formula

  • C33-H48-N4-O4

Molecular Weight

  • 564.766
 
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Names and Synonyms

Name of Substance

  • 25-((7-Chloro-4-nitrobenz-2-oxa-1,3-diazole)methylamino)-27-norcholesterol

Synonyms

  • 25-Nbd-methylamino-27-norcholesterol
  • 25-Nbd-mnc

Systematic Name

  • 27-Norcholest-5-en-3-ol, 25-(methyl(7-nitro-4-benzofurazanyl)amino)-, (3beta)-

Registry Numbers

CAS Registry Number

  • 105539-27-3

System Generated Number

  • 0105539273

Structure Descriptors

InChI

1S/C33H48N4O4/c1-20(7-6-8-21(2)36(5)28-13-14-29(37(39)40)31-30(28)34-41-35-31)25-11-12-26-24-10-9-22-19-23(38)15-17-32(22,3)27(24)16-18-33(25,26)4/h9,13-14,20-21,23-27,38H,6-8,10-12,15-19H2,1-5H3/t20-,21?,23+,24+,25+,26+,27+,32+,33-/m1/s1

InChIKey

RMGLSQAGXRZCPZ-OVHOIDCTSA-N

Smiles

C1[C@@H](CC2=CC[C@H]3[C@@H]4CC[C@H]([C@@H](CCC[C@@H](C)N(c5ccc(c6c5non6)[N+](=O)[O-])C)C)[C@@]4(C)CC[C@H]3[C@@]2(C1)C)O