Chemical Compound

Twelvmin

CAS Registry Number 22465-48-1
Twelvmin chemical structure
Primary Record

Twelvmin

In stock
8,316 g
Purity
99.8 %
CAS
22465-48-1

Compound Identifiers & Properties

CAS
22465-48-1
PubChem CID
71308682
SMILES
CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)([O-])OC(C)CNC(=O)CC[C@@]4([C@H]([C@@H]5[C@]6([C@@]([C@@H](/C(=C(/C7=N/C(=C\C8=N/C(=C(\C4=N5)/C)/[C@H](C8(C)C)CCC(=O)N)/[C@H]([C@]7(C)CC(=O)N)CCC(=O)N)\C)/[N-]6)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.CC(=O)O.[Co]
Canonical SMILES
C/C1=C2/N=C(/C=C3\N=C(/C(C)=C4\[N-][C@@](C)([C@@H]5N=C1[C@](C)(CCC(=O)NCC(C)OP(=O)([O-])O[C@H]1[C@@H](O)[C@@H](n6cnc7cc(C)c(C)cc76)O[C@@H]1CO)[C@H]5CC(N)=O)[C@@](C)(CC(N)=O)[C@@H]4CCC(N)=O)[C@@](C)(CC(N)=O)[C@@H]3CCC(N)=O)C(C)(C)[C@@H]2CCC(N)=O.CC(=O)O.[Co]

Names & Synonyms

  • Twelvmin
  • Hydroxocobalamin acetate
  • Fresmin S
  • ACETATOCOBALAMIN
  • Vitamin B12a acetate
  • Hydroxocobalamine acetate
  • HYDROXOCOBALAMINACETATE
  • Hydroxocobalamin (acetate)
  • Cobalamin, acetato- (6CI)
  • UNII-S535M27N3Q
  • Hydroxocobalamin acetate [JAN]
  • MSK1593
  • EINECS 245-019-7
  • C64-H91-Co-N13-O16-P
  • 22465-48-1
  • Hydroxocobalamin acetate, vitamin B12 analog
  • Hydroxocobalamin acetate, United States Pharmacopeia (USP) Reference Standard
  • acetic acid;cobalt;[(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 1-[3-[(1R,2R,3R,5Z,7S,10Z,12S,13S,15Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethy
  • Co(Acetato-kappaO)cobinamide dihydrogen phosphate (ester), inner salt, 3'-ester with (5,6-dimethyl-1-alpha-D-ribofuranosyl-1H-benzimidazole-kappaN3)
  • Cobinamide, acetate (salt) hydroxide, dihydrogen phosphate (ester), inner salt, 3'-ester with 5,6-dimethyl-1-.alpha.-D-ribofuranosyl-1H-benzimidazole
  • Cobinamide, Co-(acetato-.kappa.O)-, dihydrogen phosphate (ester), inner salt, 3'-ester with (5,6-dimethyl-1-.alpha.-D-ribofuranosyl-1H-benzimidazole-.kappa.N3)