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Substance Name: Coenzyme Q12
RN: 24663-36-3
UNII: BAS2X6V84P
InChIKey: NWAKMJSLSDJISV-JVLSEPFISA-N

Molecular Formula

  • C69-H106-O4

Molecular Weight

  • 999.5924
 
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Names and Synonyms

Name of Substance

  • Coenzyme Q12

Synonyms

  • 2,5-Cyclohexadiene-1,4-dione, 2-((2E,6E,10E,14E,18E,22E,26E,30E,34E,38E,42E)-3,7,11,15,19,23,27,31,35,39,43,47-dodecamethyl-2,6,10,14,18,22,26,30,34,38,42,46-octatetracontadodecaenyl)-5,6-dimethoxy-3-methyl-
  • 2,5-Cyclohexadiene-1,4-dione, 2-(3,7,11,15,19,23,27,31,35,39,43,47-dodecamethyl-2,6,10,14,18,22,26,30,34,38,42,46-octatetracontadodecaenyl)-5,6-dimethoxy-3-methyl-, (all-E)-
  • Coenzyme Q-12
  • Coenzyme Q12
  • J93.222A
  • trans-Coenzyme Q12
  • Ubiquinone 12
  • Ubiquinone Q-12
  • UNII-BAS2X6V84P

Registry Numbers

CAS Registry Number

  • 24663-36-3

FDA UNII

  • BAS2X6V84P

System Generated Number

  • 0024663363

Structure Descriptors

InChI

1S/C69H106O4/c1-52(2)28-17-29-53(3)30-18-31-54(4)32-19-33-55(5)34-20-35-56(6)36-21-37-57(7)38-22-39-58(8)40-23-41-59(9)42-24-43-60(10)44-25-45-61(11)46-26-47-62(12)48-27-49-63(13)50-51-65-64(14)66(70)68(72-15)69(73-16)67(65)71/h28,30,32,34,36,38,40,42,44,46,48,50H,17-27,29,31,33,35,37,39,41,43,45,47,49,51H2,1-16H3/b53-30+,54-32+,55-34+,56-36+,57-38+,58-40+,59-42+,60-44+,61-46+,62-48+,63-50+

InChIKey

NWAKMJSLSDJISV-JVLSEPFISA-N

Smiles

COC1=C(OC)C(=O)C(=C(C)C1=O)C\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CCC=C(C)C