Chemical Compound

COBINAMIDE, CO-AQUA-, DIHYDROGEN PHOSPHATE (ESTER), INNER SALT, 3'-ESTER WITH (5,6-DIMETHYL-1-.ALPHA.-D-RIBOFURANOSYL-1H-BENZIMIDAZOLE-.KAPPA.N3), ION(1+), HYDROXIDE (1:1)

CAS Registry Number 13422-52-1
COBINAMIDE, CO-AQUA-, DIHYDROGEN PHOSPHATE (ESTER), INNER SALT, 3'-ESTER WITH (5,6-DIMETHYL-1-.ALPHA.-D-RIBOFURANOSYL-1H-BENZIMIDAZOLE-.KAPPA.N3), ION(1+), HYDROXIDE (1:1) 结构式
Primary record

COBINAMIDE, CO-AQUA-, DIHYDROGEN PHOSPHATE (ESTER), INNER SALT, 3'-ESTER WITH (5,6-DIMETHYL-1-.ALPHA.-D-RIBOFURANOSYL-1H-BENZIMIDAZOLE-.KAPPA.N3), ION(1+), HYDROXIDE (1:1)

库存
6,384 克
纯度
98.3 %
CAS
13422-52-1

化合物标识与属性

CAS
13422-52-1
PubChem CID
165411875
SMILES
CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)([O-])O[C@H](C)CNC(=O)CC[C@@]\4([C@H](C5[C@]6([C@@]([C@@H](C(=N6)/C(=C\7/[C@@]([C@@H](C(=N7)/C=C\8/C([C@@H](C(=N8)/C(=C4\[N-]5)/C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.O.[OH-].[Co+3]
Canonical SMILES
C/C1=C2/[N-]C([C@H](CC(N)=O)[C@@]2(C)CCC(=O)NC[C@@H](C)OP(=O)([O-])O[C@H]2[C@@H](O)[C@@H](n3cnc4cc(C)c(C)cc43)O[C@@H]2CO)[C@]2(C)N=C(/C(C)=C3\N=C(/C=C4\N=C1[C@@H](CCC(N)=O)C4(C)C)[C@@H](CCC(N)=O)[C@]3(C)CC(N)=O)[C@@H](CCC(N)=O)[C@]2(C)CC(N)=O.O.[Co+3].[OH-]

名称与同义词

  • Aquacobalamin
  • Aquocobalamin
  • Aquocobalamine
  • Vitamin B12b
  • Aquocobalamin hydroxide
  • AQUACOBALAMIN [MI]
  • 8S07EB1568
  • HYDROXOCOBALAMIN HYDRATE [WHO-IP]
  • HYDROXOCOBALAMINUM HYDRATE [WHO-IP LATIN]
  • 13422-52-1
  • COBINAMIDE, CO-AQUA-, DIHYDROGEN PHOSPHATE (ESTER), INNER SALT, 3'-ESTER WITH (5,6-DIMETHYL-1-.ALPHA.-D-RIBOFURANOSYL-1H-BENZIMIDAZOLE-.KAPPA.N3), ION(1+), HYDROXIDE (1:1)