CAS: 22465-48-1 - Acetatocobalamin
Formula:C64H91CoN13O16P
InChI:InChI=1S/C62H90N13O14P.C2H4O2.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(3)4;/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);1H3,(H,3,4);/q;;+3/p-3
InChI key:InChIKey=KPFAAKYTRSSOQN-UHFFFAOYSA-K
SMILES:O=C([O-][Co+3]1234[N]5=CN(C=6C=C(C(=CC65)C)C)C7OC(CO)C(OP(=O)([O-])OC(C)CNC(=O)CCC8(C9=C(C%10=[N]4C(=CC%11=[N]3C(=C(C%12=[N]2C(C)(C([N-]91)C8CC(=O)N)C(C)(CC(=O)N)C%12CCC(=O)N)C)C(C)(CC(=O)N)C%11CCC(=O)N)C(C)(C)C%10CCC(=O)N)C)C)C7O)C
- Synonyms:
- Acetatocobalamin
- Co(Acetato-kappaO)cobinamide dihydrogen phosphate (ester), inner salt, 3'-ester with (5,6-dimethyl-1-alpha-D-ribofuranosyl-1H-benzimidazole-kappaN3)
- Cobalamin, acetato-
- Cobalamin, acetato- (6CI)
- Cobinamide, Co(acetato-kappaO)-, dihydrogen phosphate (ester), inner salt, 3'-ester with (5,6-dimethyl-1-alpha-D-ribofuranosyl-1H-benzimidazole-kappaN3)
- Cobinamide, Co-(acetato-κO)-, dihydrogen phosphate (ester), inner salt, 3′-ester with (5,6-dimethyl-1-α-<span class="text-smallcaps">D</span>-ribofuranosyl-1H-benzimidazole-κN<sup>3</sup>)
- Cobinamide, acetate (salt) hydroxide, dihydrogen phosphate (ester), inner salt, 3'-ester with 5,6-dimethyl-1-alpha-D-ribofuranosylbenzimidazole
- Cobinamide, acetate (salt) hydroxide, dihydrogen phosphate (ester), inner salt, 3′-ester with 5,6-dimethyl-1-α-<span class="text-smallcaps">D</span>-ribofuranosyl-1H-benzimidazole
- Cobinamide, acetate (salt) hydroxide, dihydrogen phosphate (ester), inner salt, 3′-ester with 5,6-dimethyl-1-α-<span class="text-smallcaps">D</span>-ribofuranosylbenzimidazole
- Cobinamide, acetate phosphate, 3′-ester with 5,6-dimethyl-1-α-<span class="text-smallcaps">D</span>-ribofuranosylbenzimidazole, inner salt
- See more synonyms
- Depo-gamma
- Fresmin S
- Hydroxocobalamine acetate
- Hydroxycobalamine acetate
- Novidroxin
- Twelvmin
- Unii-S535M27N3Q
- Cobinamide, acetate (salt) hydroxide, dihydrogen phosphate (ester), inner salt, 3′-ester with 5,6-dimethyl-1-α-D-ribofuranosyl-1H-benzimidazole
- Cobinamide, acetate (salt) hydroxide, dihydrogen phosphate (ester), inner salt, 3′-ester with 5,6-dimethyl-1-α-D-ribofuranosylbenzimidazole
- Cobinamide, acetate phosphate, 3′-ester with 5,6-dimethyl-1-α-D-ribofuranosylbenzimidazole, inner salt
- Cobinamide, Co-(acetato-κO)-, dihydrogen phosphate (ester), inner salt, 3′-ester with (5,6-dimethyl-1-α-D-ribofuranosyl-1H-benzimidazole-κN3)