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Substance Name: Resiniferatoxin
RN: 57444-62-9
UNII: A5O6P1UL4I
InChIKey: DSDNAKHZNJAGHN-MXTYGGKSSA-N

Note

  • Phorbol related diterpene ester; potent agonist of vanilloid TRPV1 receptors.

Molecular Formula

  • C37-H40-O9

Molecular Weight

  • 628.714
 
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Names and Synonyms

Name of Substance

  • Resiniferatoxin

Synonyms

  • Reciniferatoxin
  • RTX
  • UNII-A5O6P1UL4I

Systematic Names

  • 6,7-Deepoxy-6,7-didehydro-5-deoxy-21-dephenyl-21-(phenylmethyl)daphnetoxin 20-(3-hydroxy-5-methoxybenzeneacetate)
  • Benzeneacetic acid, 4-hydroxy-3-methoxy-, ((2S,3aR,3bS,6aR,9aR,9bR,10R,11aR)-3a,3b,6,6a,9a,10,11,11a-octahydro-6a-hydroxy-8,10-dimethyl-11a-(1-methylethenyl)-7-oxo-2-(phenylmethyl)-7H-2,9b-epoxyazuleno(5,4-e)-1,3-benzodioxol-5-yl)methyl ester

Registry Numbers

CAS Registry Number

  • 57444-62-9

FDA UNII

  • A5O6P1UL4I

System Generated Number

  • 0057444629

Structure Descriptors

InChI

1S/C37H40O9/c1-21(2)35-17-23(4)37-27(33(35)44-36(45-35,46-37)19-24-9-7-6-8-10-24)14-26(18-34(41)30(37)13-22(3)32(34)40)20-43-31(39)16-25-11-12-28(38)29(15-25)42-5/h6-15,23,27,30,33,38,41H,1,16-20H2,2-5H3/t23-,27+,30-,33-,34-,35-,36-,37-/m1/s1

InChIKey

DSDNAKHZNJAGHN-MXTYGGKSSA-N

Smiles

COc1cc(CC(=O)OCC2=C[C@H]3[C@H]4O[C@]5(Cc6ccccc6)O[C@]4(C[C@@H](C)[C@]3(O5)[C@@H]7C=C(C)C(=O)[C@@]7(O)C2)C(=C)C)ccc1O