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Substance Name: Ajmalan-17,21-diol, 10-bromo-, (17S,21-alpha)-, (R-(R*,R*))-2,3-dihydroxybutanedioate(1:1) (salt)
RN: 78744-56-6
InChIKey: VZJRHEHUVOQEHV-SKEQCEMRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H25-Br-N2-O2.C4-H6-O6

Molecular Weight

  • 555.4189
 
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Names and Synonyms

Synonym

  • 10-Bromosandwicine hydrogen tartrate

Systematic Name

  • Ajmalan-17,21-diol, 10-bromo-, (17S,21-alpha)-, (R-(R*,R*))-2,3-dihydroxybutanedioate(1:1) (salt)

Registry Numbers

CAS Registry Number

  • 78744-56-6

System Generated Number

  • 0078744566

Molecular Formulas

Molecular Formula

  • C20-H25-Br-N2-O2.C4-H6-O6

Molecular Formula Fragments

  • C20-H25-Br-N2-O2
  • C4-H6-O6
  • COMPONENT

Structure Descriptors

InChI

1S/C20H25BrN2O2.C4H6O6/c1-3-10-11-7-14-17-20(12-6-9(21)4-5-13(12)22(17)2)8-15(16(11)18(20)24)23(14)19(10)25;5-1(3(7)8)2(6)4(9)10/h4-6,10-11,14-19,24-25H,3,7-8H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/t10-,11?,14-,15-,16?,17-,18-,19+,20?;1-,2-/m01/s1

InChIKey

VZJRHEHUVOQEHV-SKEQCEMRSA-N

Smiles

CC[C@@H]1[C@H](N2[C@H]3CC1C4[C@@H]2CC5([C@H]3N(c6c5cc(cc6)Br)C)[C@H]4O)O.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 171mg/kg (171mg/kg)   United States Patent Document. Vol. #4558052,
mouse LD50 oral 1222mg/kg (1222mg/kg)   United States Patent Document. Vol. #4558052,