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Substance Name: Phytonadiol sodium diphosphate [INN]
RN: 5988-22-7
UNII: PBM62V6R4Q
InChIKey: LRWBGESCAPTUOY-CBQOWLQZSA-L

Molecular Formula

  • C31-H48-Na2-O8-P2

Molecular Weight

  • 656.6402
 
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Names and Synonyms

Name of Substance

  • Phytonadiol sodium diphosphate [INN]

Synonyms

  • Phytonadiol sodium diphosphate
  • UNII-PBM62V6R4Q

Systematic Name

  • 2-Methyl-3-phytyl-1,4-naphthalenediol disodium diphosphate

Registry Numbers

CAS Registry Number

  • 5988-22-7

FDA UNII

  • PBM62V6R4Q

System Generated Number

  • 0005988227

Structure Descriptors

InChI

1S/C31H50O8P2.2Na/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(38-40(32,33)34)28-18-7-8-19-29(28)31(27)39-41(35,36)37;;/h7-8,18-20,22-24H,9-17,21H2,1-6H3,(H2,32,33,34)(H2,35,36,37);;/q;2*+1/p-2/b25-20+;;/t23-,24-;;/m1../s1

InChIKey

LRWBGESCAPTUOY-CBQOWLQZSA-L

Smiles

[Na+].[Na+].CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC\C(=C\Cc1c(C)c(OP(=O)(O)[O-])c2ccccc2c1OP(=O)(O)[O-])\C