Chemical Properties of Cyanocobalamin (CAS 68-19-9)

Cyanocobalamin

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InChI
InChI=1S/C62H90N13O14P.CN.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-2;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;/q;;+2/p-2
InChI Key
RMRCNWBMXRMIRW-UHFFFAOYSA-L
Formula
C63H88CoN14O14P
SMILES
[Co].[C]#N.Cc1cc2[nH]c[n+](C3OC(CO)C(OP(=O)(O)OC(C)CN=C(O)CCC4(C)C5=NC(C4CC(=N)O)C4(C)NC(=C(C)C6=NC(=CC7=NC(=C5C)C(CCC(=N)[O-])C7(C)C)C(CCC(=N)[O-])C6(C)CC(=N)O)C(CCC(=N)[O-])C4(C)CC(=N)O)C3O)c2cc1C
Molecular Weight1
1355.37
CAS
68-19-9
Sources
  • 1: Molecular weight from the IUPAC atomic weights tables.
  • Similar Compounds

    Chlortetracycline hydrochloride. Thebaine. Ergocristin. Brucine. Tetracycline hydrochloride. Heptafluorobutyryl-codeine. Nalmefene, bis(trifluoroacetate). Octaethyl-porphyrin, Si-(OTBDMS)2-derivative. Ergotaman-3',6',18-trione, 12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-, (5'«alpha»)-. 3-O,6-O,N-Triacetylnormorphine. ERGOTAMINE. Eburnamenine-14-carboxylic acid, 14,15-dihydro-14-hydroxy-, methyl ester, (3«alpha»,14«alpha»,16«alpha»)-. Vincamine. Etorphine. 6-O,N-Diacetylnorcodeine.

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