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Substance Name: Ajmalan-17(R),21alpha-diol, compound with 1-bromopropane (1:1)
RN: 93981-29-4
InChIKey: DTOLGVCXYPWFAW-XGVUYFEVSA-N

Molecular Formula

  • C20-H26-N2-O2.C3-H7-Br

Molecular Weight

  • 449.4297
 
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Names and Synonyms

Synonym

  • EINECS 301-113-0

Systematic Name

  • Ajmalan-17(R),21alpha-diol, compound with 1-bromopropane (1:1)

Registry Numbers

CAS Registry Number

  • 93981-29-4

System Generated Number

  • 0093981294

Molecular Formulas

Molecular Formula

  • C20-H26-N2-O2.C3-H7-Br

Molecular Formula Fragments

  • C20-H26-N2-O2
  • C3-H7-Br
  • COMPONENT

Structure Descriptors

InChI

1S/C20H26N2O2.C3H7Br/c1-3-10-11-8-14-17-20(12-6-4-5-7-13(12)21(17)2)9-15(16(11)18(20)23)22(14)19(10)24;1-2-3-4/h4-7,10-11,14-19,23-24H,3,8-9H2,1-2H3;2-3H2,1H3/t10-,11+,14-,15+,16?,17+,18-,19-,20+;/m1./s1

InChIKey

DTOLGVCXYPWFAW-XGVUYFEVSA-N

Smiles

CCCBr.CC[C@@H]1[C@@H]2C[C@@H]3[C@H]4[C@]5(C[C@@H](C2[C@H]5O)N3[C@@H]1O)c6ccccc6N4C