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Substance Name: Bebeerine
RN: 477-60-1
UNII: 01MDR0WU2J
InChIKey: NGZXDRGWBULKFA-NSOVKSMOSA-N

Molecular Formula

  • C36-H38-N2-O6

Molecular Weight

  • 594.7042
 
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Names and Synonyms

Name of Substance

  • Bebeerine

Synonym

  • UNII-01MDR0WU2J

Systematic Name

  • Tubocuraran-7',12'-diol, 6,6'-dimethoxy-2,2'-dimethyl-, (1'alpha)-

Registry Numbers

CAS Registry Number

  • 477-60-1

FDA UNII

  • 01MDR0WU2J

System Generated Number

  • 0000477601

Structure Descriptors

InChI

1S/C36H38N2O6/c1-37-13-11-23-18-31(41-3)32-20-26(23)27(37)15-21-5-8-25(9-6-21)43-36-34-24(19-33(42-4)35(36)40)12-14-38(2)28(34)16-22-7-10-29(39)30(17-22)44-32/h5-10,17-20,27-28,39-40H,11-16H2,1-4H3/t27-,28-/m0/s1

InChIKey

NGZXDRGWBULKFA-NSOVKSMOSA-N

Smiles

COc1cc2CCN(C)[C@H]3Cc4ccc(O)c(Oc5cc6[C@H](Cc7ccc(Oc(c1O)c23)cc7)N(C)CCc6cc5OC)c4