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Substance Name: Hygrophylline
RN: 3573-82-8
UNII: J6AYA4COFQ
InChIKey: FAFYHPIEFKLDSP-BBHGGYQYSA-N

Molecular Formula

  • C18-H27-N-O6

Molecular Weight

  • 353.4123
 
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Names and Synonyms

Name of Substance

  • Hygrophylline

Synonyms

  • Hygrophylline
  • NSC 129152
  • UNII-J6AYA4COFQ

Systematic Names

  • Platynecine, cyclic 5-ethylidene-2,4-dihydroxy-2,3-dimethylhexanedioate (ester) (8CI)
  • Senecionan-11,16-dione, 1,2-dihydro-12,14-dihydroxy-, (1alpha,14alpha)- (9CI)

Registry Numbers

CAS Registry Number

  • 3573-82-8

FDA UNII

  • J6AYA4COFQ

System Generated Number

  • 0003573828

Structure Descriptors

InChI

1S/C18H27NO6/c1-4-12-15(20)10(2)18(3,23)17(22)24-9-11-5-7-19-8-6-13(14(11)19)25-16(12)21/h4,10-11,13-15,20,23H,5-9H2,1-3H3/b12-4-/t10-,11-,13-,14-,15-,18-/m1/s1

InChIKey

FAFYHPIEFKLDSP-BBHGGYQYSA-N

Smiles

C\C=C/1\[C@H](O)[C@@H](C)[C@@](C)(O)C(=O)OC[C@H]2CCN3CC[C@@H](OC1=O)[C@@H]23