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Substance Name: N(1)-Cholesterylcarbamoyl-N(8)-(4-nitrobenzo-2-oxa-1,3-diazole)-3,6-dioxaoctyl-1,8-diamine
RN: 80685-24-1
InChIKey: PYDIBDVAHXFICD-TYSIZKDBSA-N

Molecular Weight

  • 723.9499
 
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Names and Synonyms

Name of Substance

  • N(1)-Cholesterylcarbamoyl-N(8)-(4-nitrobenzo-2-oxa-1,3-diazole)-3,6-dioxaoctyl-1,8-diamine

Synonym

  • Nbd-chol

Systematic Name

  • Cholest-5-en-3-ol (3beta)-, (2-(2-(2-((7-nitro-4-benzofurazanyl)amino)ethoxy)ethoxy)ethyl)carbamate

Registry Numbers

CAS Registry Number

  • 80685-24-1

System Generated Number

  • 0080685241

Structure Descriptors

InChI

1S/C40H61N5O7/c1-26(2)7-6-8-27(3)31-11-12-32-30-10-9-28-25-29(15-17-39(28,4)33(30)16-18-40(31,32)5)51-38(46)42-20-22-50-24-23-49-21-19-41-34-13-14-35(45(47)48)37-36(34)43-52-44-37/h9,13-14,26-27,29-33,41H,6-8,10-12,15-25H2,1-5H3,(H,42,46)/t27-,29+,30+,31-,32+,33+,39+,40-/m1/s1

InChIKey

PYDIBDVAHXFICD-TYSIZKDBSA-N

Smiles

C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)NCCOCCOCCNc5ccc(c6c5non6)[N+](=O)[O-])C)C