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Substance Name: Phorbol-13-acetate-12-N-methyl-N-4-(N,N'-di(2-hydroxyethyl)amino)-7-nitrobenz-2-oxa-1,3-diazole-aminododecanoate
RN: 137034-69-6
InChIKey: IVPOMGYCQKBCHG-KQZNBZGZSA-N

Molecular Formula

  • C43-H58-N4-O12

Molecular Weight

  • 822.947
 
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Names and Synonyms

Name of Substance

  • Phorbol-13-acetate-12-N-methyl-N-4-(N,N'-di(2-hydroxyethyl)amino)-7-nitrobenz-2-oxa-1,3-diazole-aminododecanoate

Synonyms

  • (1aR-(1aalpha,1bbeta,4abeta,7aalpha,7balpha,8alpha,9beta,9aalpha))-9a-(Acetyloxy)-3-((acetyloxy)methyl)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa(3,4)benz(1,2-e)azulen-9-yl 12-(methyl(7-nitro-4-benzofurazanyl)amino)dodecanoate
  • Nbd-tpa

Systematic Name

  • Dodecanoic acid, 12-(methyl(7-nitro-4-benzofurazanyl)amino)-, 9a-(acetyloxy)-3-((acetyloxy)methyl)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa(3,4)benz(1,2-e)azulen-9-yl ester, (1aR-(1aalpha,1bbeta,4abeta,7aalpha,7balpha,8alpha,9beta,9aalpha))-

Registry Numbers

CAS Registry Number

  • 137034-69-6

System Generated Number

  • 0137034696

Structure Descriptors

InChI

1S/C43H58N4O12/c1-25-21-33-41(52,38(25)51)23-29(24-56-27(3)48)22-30-37-40(5,6)43(37,58-28(4)49)39(26(2)42(30,33)53)57-34(50)17-15-13-11-9-8-10-12-14-16-20-46(7)31-18-19-32(47(54)55)36-35(31)44-59-45-36/h18-19,21-22,26,30,33,37,39,52-53H,8-17,20,23-24H2,1-7H3/t26-,30+,33-,37-,39-,41-,42-,43-/m1/s1

InChIKey

IVPOMGYCQKBCHG-KQZNBZGZSA-N

Smiles

C(CCCCCCCCCCCN(c1c2nonc2c(cc1)[N+](=O)[O-])C)(=O)O[C@H]1[C@@]2([C@@H](C2(C)C)[C@H]2[C@@]([C@@H]3C=C(C([C@@]3(CC(=C2)COC(=O)C)O)=O)C)([C@@H]1C)O)OC(=O)C