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Substance Name: Psychotrine tetrahydrate
RN: 6199-09-3
UNII: JH3Q4LM69J
InChIKey: KNTXBHOZBKSJNQ-XITUUATBSA-N

Molecular Formula

  • C28-H36-N2-O4.4H2-O

Molecular Weight

  • 536.6616
 
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Names and Synonyms

Name of Substance

  • Psychotrine tetrahydrate

Synonyms

  • Emetan-6'-ol, 1',2'-didehydro-7',10,11-trimethoxy-, tetrahydrate
  • Psychotrine tetrahydrate
  • Psychotrine tetrahydrate [MI]
  • UNII-JH3Q4LM69J

Registry Numbers

CAS Registry Number

  • 6199-09-3

FDA UNII

  • JH3Q4LM69J

System Generated Number

  • 0006199093

Structure Descriptors

InChI

1S/C28H36N2O4.4H2O/c1-5-17-16-30-9-7-19-13-27(33-3)28(34-4)15-22(19)24(30)11-20(17)10-23-21-14-26(32-2)25(31)12-18(21)6-8-29-23;;;;/h12-15,17,20,24,31H,5-11,16H2,1-4H3;4*1H2/t17-,20-,24-;;;;/m0..../s1

InChIKey

KNTXBHOZBKSJNQ-XITUUATBSA-N

Smiles

CC[C@H]1CN2CCc3cc(c(cc3[C@@H]2C[C@@H]1CC4=NCCc5c4cc(c(c5)O)OC)OC)OC.O.O.O.O