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Substance Name: Buxabenzacine
RN: 128741-20-8
InChIKey: GVPKAHHAVRQDCN-NXEZQSRVSA-N

Molecular Formula

  • C36-H54-N2-O4

Molecular Weight

  • 578.833
 
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Names and Synonyms

Results Name

  • Buxabenzacine

Synonym

  • ( )-Buxabenzacine

Systematic Name

  • Benzamide, N-((3beta,4alpha,5alpha,16alpha,20S)-16-(acetyloxy)-20-dimethylamino)-4-(hydroxymethyl)-4,14-dimethyl-B(9a)-homo-19-norpregn-1(10)-en-3-yl)-N-methyl-

Registry Numbers

CAS Registry Number

  • 128741-20-8

System Generated Number

  • 0128741208

Structure Descriptors

InChI

1S/C36H54N2O4/c1-23(37(6)7)32-30(42-24(2)40)21-36(5)29-16-15-28-26(20-27(29)18-19-35(32,36)4)14-17-31(34(28,3)22-39)38(8)33(41)25-12-10-9-11-13-25/h9-14,23,27-32,39H,15-22H2,1-8H3/t23-,27+,28+,29+,30+,31-,32-,34-,35+,36-/m0/s1

InChIKey

GVPKAHHAVRQDCN-NXEZQSRVSA-N

Smiles

C(c1ccccc1)(=O)N(C)[C@@H]1[C@@]([C@H]2C(C[C@@H]3[C@H]([C@@]4(C[C@H]([C@@H]([C@@]4(CC3)C)[C@H](C)N(C)C)OC(=O)C)C)CC2)=CC1)(C)CO