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Substance Name: Ingenol mebutate [USAN:INN]
RN: 75567-37-2
UNII: 7686S50JAH
InChIKey: VDJHFHXMUKFKET-WDUFCVPESA-N

Note

  • Protein kinase C agonist and antineoplastic.

Molecular Formula

  • C25-H34-O6

Molecular Weight

  • 430.5376
 

Classification Codes

  • Antineoplastic Agents
  • Treatment of Actinic Keratosis
  • Treatment of Actinic Keratosis and Superficial Basal Cell Carcinoma
  • Treatment of Superficial Basal Cell Carcinoma
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Names and Synonyms

Name of Substance

  • 3-Ingenyl angelate
  • Ingenol mebutate [USAN:INN]

Synonyms

  • (1aR,2S,5R,5aS,6S,8aS,9R,10aR)-5,5a-Dihydroxy-4-(hydroxymethyl)-1,1,7,9-tetramethyl-11-oxo-1a,2,5,5a,6,9,10,10a-octahydro-1H-2,8a- methanocyclopenta(a)cyclopropa(e)cyclodecen-6-yl (2Z)-2-methylbut-2-enoate
  • 3-Angeloylingenol
  • 3-Ingenyl angelate
  • Euphorbia factor An1
  • Euphorbia factor H1
  • HSDB 8308
  • Ingenol 3-angelate
  • Ingenol mebutate
  • PEP 005
  • PEP-005
  • PEP005
  • Picato
  • UNII-7686S50JAH

Systematic Name

  • 2-Butenoic acid, 2-methyl-, (1aR,2S,5R,5aS,6S,8aS,9R,10aR)-1a,2,5,5a,6,9,10,10a-octahydro-5,5a-dihydroxy-4-(hydroxymethyl)-1,1,7,9-tetramethyl-11-oxo-1H-2,8a-methanocyclopenta(a)cyclopropa(e)cyclodecen-6-yl ester, (2Z)-

Registry Numbers

CAS Registry Number

  • 75567-37-2

FDA UNII

  • 7686S50JAH

Other Registry Number

  • 849146-39-0

System Generated Number

  • 0075567372

Structure Descriptors

InChI

InChI=1S/C25H34O6/c1-7-12(2)22(29)31-21-13(3)10-24-14(4)8-17-18(23(17,5)6)16(20(24)28)9-15(11-26)19(27)25(21,24)30/h7,9-10,14,16-19,21,26-27,30H,8,11H2,1-6H3/b12-7-/t14-,16+,17-,18+,19-,21+,24+,25+/m1/s1

InChIKey

VDJHFHXMUKFKET-WDUFCVPESA-N

Smiles

C\C=C(\C)/C(=O)O[C@H]1C(=C[C@@]23[C@H](C)C[C@@H]4[C@H]([C@H](C=C(CO)[C@@H](O)[C@]12O)C3=O)C4(C)C)C