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Substance Name: Vomicine
RN: 125-15-5
UNII: 4R9445MB8M
InChIKey: ZMTYENXGROJCEA-LNKPQSDASA-N

Molecular Formula

  • C22-H24-N2-O4

Molecular Weight

  • 380.4416
 
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Names and Synonyms

Name of Substance

  • Vomicine

Synonyms

  • 4-Hydroxy-19-methyl-16,19-secostrychnidine-10,16-dione
  • Strychnicine
  • UNII-4R9445MB8M
  • Vomicin

Systematic Names

  • 12H-6a,4-(Ethaniminomethano)indolo(3,2,1-i)oxepino(2,3,4-de)quinoline-6,12(2H)-dione, 4a,5,13,13a,13b,13c-hedahydro-10-hydroxy-16-methyl-, (4aR,6aS,13aS,13bR,13cS)-
  • 16,19-Secostrychnidine-10,16-dione, 4-hydroxy-19-methyl-
  • 2H-6a,4-(Ethaniminomethano)indolo(3,2,1-i)oxepino(2,3,4-de)quinoline-6,12(2H)-dione, 4a,5,13,13a,13b,13c-hedahydro-10-hydroxy-16-methyl-, (4aR-(4aR*,6aS*,13aS*,13bR*,13cS*))-

Registry Numbers

CAS Registry Number

  • 125-15-5

FDA UNII

  • 4R9445MB8M

Other Registry Numbers

  • 1393-36-8
  • 28596-09-0

System Generated Number

  • 0000125155

Structure Descriptors

InChI

1S/C22H24N2O4/c1-23-7-6-22-14-3-2-4-15(25)20(14)24-18(27)10-16-19(21(22)24)13(9-17(22)26)12(11-23)5-8-28-16/h2-5,13,16,19,21,25H,6-11H2,1H3/t13-,16-,19-,21-,22+/m0/s1

InChIKey

ZMTYENXGROJCEA-LNKPQSDASA-N

Smiles

CN1CC[C@]23c4cccc(c4N5[C@H]2[C@H]6[C@@H](CC3=O)C(=CCO[C@H]6CC5=O)C1)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 282 deg C   EXP
log P (octanol-water) 0.700 (none)   EST
Atmospheric OH Rate Constant 2.58E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.