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Substance Name: NCX 1000
RN: 401519-96-8
InChIKey: WTAVOESJEWSDJC-YPNWUOBLSA-N

Molecular Formula

  • C38-H55-N-O10

Molecular Weight

  • 685.8495
 
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Names and Synonyms

Results Name

  • NCX 1000

Name of Substance

  • 2-Methyl-3-(2-((4-nitrooxybutyloxy)carbonyl)vinyl)phenyl ursodeoxycholic acid ester

Synonym

  • NCX-1000

Systematic Name

  • Cholan-24-oic acid, 3,7-dihydroxy-, 2-methoxy-5-((1E)-3-(4- (nitrooxy)butoxy)-3-oxo-1-propenyl)phenyl ester, (3alpha,5beta,7beta)-

Registry Numbers

CAS Registry Number

  • 401519-96-8

System Generated Number

  • 0401519968

Structure Descriptors

InChI

1S/C38H55NO10/c1-24(28-10-11-29-36-30(16-18-38(28,29)3)37(2)17-15-27(40)22-26(37)23-31(36)41)7-13-35(43)49-32-12-8-25(21-33(32)46-4)9-14-34(42)47-19-5-6-20-48-39(44)45/h8-9,12,14,21,24,26-31,36,40-41H,5-7,10-11,13,15-20,22-23H2,1-4H3/b14-9+/t24-,26+,27-,28-,29+,30?,31+,36+,37+,38-/m1/s1

InChIKey

WTAVOESJEWSDJC-YPNWUOBLSA-N