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Substance Name: Taxine B
RN: 1361-51-9
InChIKey: XMZFIBDTPOUHMW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formulas

  • C33-H45-N-O8
  • C37-H49-N-O10

Molecular Weight

  • 583.7175
 
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Names and Synonyms

Results Name

  • Taxine B

Synonyms

  • Taxin B
  • Taxin B [German]
  • Taxine B

Systematic Name

  • Benzenepropanoic acid, beta-(dimethylamino)-, 5-(acetyloxy)-1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-4-methylene-8-oxo-9,12a,13,13-tetramethyl-6,11,12-trihydroxy-6,10-methanobenzocyclodecen-3-yl ester

Registry Numbers

CAS Registry Number

  • 1361-51-9

Other Registry Number

  • 1361-50-8

System Generated Number

  • 0001361519

Structure Descriptors

InChI

1S/C33H45NO8/c1-18-23(36)17-33(40)29(38)27-19(2)24(42-25(37)16-22(34(7)8)21-12-10-9-11-13-21)14-15-32(27,6)30(39)28(41-20(3)35)26(18)31(33,4)5/h9-13,22,24,27-30,38-40H,2,14-17H2,1,3-8H3

InChIKey

XMZFIBDTPOUHMW-UHFFFAOYSA-N

Smiles

CC1=C2C(C(C3(CCC(C(=C)C3C(C(C2(C)C)(CC1=O)O)O)OC(=O)CC(c4ccccc4)N(C)C)C)O)OC(=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intravenous 4500ug/kg (4.5mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 9, Pg. 77, 1959.