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CAS RN 13422-51-0

H2OCoH3C(S)HNO(R)CH3(R)H2NONCH3NNH3CN(R)CH3(S)CH3H2NO(S)H2NO(S)H3CH2NO(S)NH2OCH3H3C(S)NH2OOPOOO(S)(R)OH(S)O(R)HONNCH3CH3(Z)(Z)(Z)

CAS RN 13422-51-0

IUPAC Name: λ²-cobalt(2+) (2R,3S,4S,6Z,8S,9S,11Z,14S,16Z,18R,19R)-4,9,14-tris(2-carbamoylethyl)-3,8,19-tris(carbamoylmethyl)-18-(2-{[(2S)-2-{[(2R,3S,4R,5S)-5-(5,6-dimethyl-1H-1,3-benzodiazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl phosphonato]oxy}propyl]carbamoyl}ethyl)-2,3,6,8,13,13,16,18-octamethyl-20λ⁵,21,22,23-tetraazapentacyclo[15.2.1.1²,⁵.1⁷,¹⁰.1¹²,¹⁵]tricosa-5(23),6,10(22),11,15(21),16-hexaene-20,20-diid-20-yl λ³-oxidanide
Synonyms: λ²-cobalt(2+) (2R,3S,4S,6Z,8S,9S,11Z,14S,16Z,18R,19R)-4,9,14-tris(2-carbamoylethyl)-3,8,19-tris(carbamoylmethyl)-18-(2-{[(2S)-2-{[(2R,3S,4R,5S)-5-(5,6-dimethyl-1,3-benzodiazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl phosphonato]oxy}propyl]carbamoyl}ethyl)-2,3,6,8,13,13,16,18-octamethyl-20λ⁵,21,22,23-tetraazapentacyclo[15.2.1.1²,⁵.1⁷,¹⁰.1¹²,¹⁵]tricosa-5(23),6,10(22),11,15(21),16-hexaene-20,20-diid-20-yl λ³-oxidanide
Molecular Weight (g/mol): 1347.39
Molecular Formula: C62H90CoN13O15P
InChi Key: PJOHJFIDLYDPIZ-PMEYKKDOSA-M
SMILES: [OH2-].[Co++].C[C@@H](CNC(=O)CC[C@]1(C)[C@@H](CC(N)=O)C2[N--]\C1=C(C)/C1=N/C(=C\C3=N\C(=C(C)/C4=N[C@]2(C)[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]1CCC(N)=O)OP([O-])(=O)O[C@@H]1[C@@H](CO)O[C@@H]([C@@H]1O)N1C=NC2=CC(C)=C(C)C=C12
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Hydroxocobalamin (>90%), TRC

CAS: 13422-51-0 Molecular Formula: C62 H89 Co N13 O15 P Molecular Weight (g/mol): 1346.36 Synonym: Cobinamide, Co-hydroxy-, f-(dihydrogen phosphate), inner salt, 3'-ester with (5,6-dimethyl-1-α-D-ribofuranosyl-1H-benzimidazole-κN3),Cobinamide, dihydroxide, dihydrogen phosphate (ester), mono(inner salt), 3'-ester with 5,6-dimethyl-1-α-D-ribofuranosyl-1H-benzimidazole,Cobinamide, dihydroxide, dihydrogen phosphate (ester), mono(inner salt), 3'-ester with 5,6-dimethyl-1-α-D-ribofuranosylbenzimidazole,Alpha Cobione,AlphaRedisol,Axlon,Ciplamin H,Cobalamin, hydroxo-,Cobalex,Cobalin H,Cobinamide hydroxide phosphate 3'-ester with 5,6-dimethyl-1-α-D-ribofuranosylbenzimidazole inner salt,Codroxomin,Docclan,Docelan,Docevita,Droxomin,Ducobee Hy,Duradoce,Duralta-12,Hydrocobalamin,Hydrogrisevit,Hydrovit,Hydroxocobalamin,Hydroxocobalamine,Hydroxocobemine,Hydroxy vitamin B12,Hydroxycobalamin,Hydroxycobalamine,Hyxobamine,Idrogrisevit,Megamilbedoce,Neo-Betalin 12,Neo-Cytamen,Neo-Macrabin,Neo-Rojamin,OH-Duphar,Oxobemin,Primabalt RP,Redisol H,Sytobex H,Vibeden,Vitadurin,Vitamin B12a,α-(5,6-Dimethylbenzimidazolyl)hydroxocobamide SMILES: C[C@@H]1CNC(=O)CC[C@]2(C)[C@@H](CC(=O)N)[C@H]3N4C2=C(C)C5=N6C(=CC7=N8C(=C(C)C9=N([C@]3(C)[C@@](C)(CC(=O)N)[C@@H]9CCC(=O)N)[Co+]468(O)N%10=CN([C@H]%11O[C@H](CO)[C@@H](OP(=O)([O-])O1)[C@H]%11O)c%12cc(C)c(C)cc%10%12)[C@@](C)(CC(=O)N)[C@@H]7CCC(=O)N)C(C)(C)[C@@H]5CCC(=O)N

CAS 13422-51-0
Molecular Weight (g/mol) 1346.36
SMILES C[C@@H]1CNC(=O)CC[C@]2(C)[C@@H](CC(=O)N)[C@H]3N4C2=C(C)C5=N6C(=CC7=N8C(=C(C)C9=N([C@]3(C)[C@@](C)(CC(=O)N)[C@@H]9CCC(=O)N)[Co+]468(O)N%10=CN([C@H]%11O[C@H](CO)[C@@H](OP(=O)([O-])O1)[C@H]%11O)c%12cc(C)c(C)cc%10%12)[C@@](C)(CC(=O)N)[C@@H]7CCC(=O)N)C(C)(C)[C@@H]5CCC(=O)N
Synonym Cobinamide, Co-hydroxy-, f-(dihydrogen phosphate), inner salt, 3'-ester with (5,6-dimethyl-1-α-D-ribofuranosyl-1H-benzimidazole-κN3),Cobinamide, dihydroxide, dihydrogen phosphate (ester), mono(inner salt), 3'-ester with 5,6-dimethyl-1-α-D-ribofuranosyl-1H-benzimidazole,Cobinamide, dihydroxide, dihydrogen phosphate (ester), mono(inner salt), 3'-ester with 5,6-dimethyl-1-α-D-ribofuranosylbenzimidazole,Alpha Cobione,AlphaRedisol,Axlon,Ciplamin H,Cobalamin, hydroxo-,Cobalex,Cobalin H,Cobinamide hydroxide phosphate 3'-ester with 5,6-dimethyl-1-α-D-ribofuranosylbenzimidazole inner salt,Codroxomin,Docclan,Docelan,Docevita,Droxomin,Ducobee Hy,Duradoce,Duralta-12,Hydrocobalamin,Hydrogrisevit,Hydrovit,Hydroxocobalamin,Hydroxocobalamine,Hydroxocobemine,Hydroxy vitamin B12,Hydroxycobalamin,Hydroxycobalamine,Hyxobamine,Idrogrisevit,Megamilbedoce,Neo-Betalin 12,Neo-Cytamen,Neo-Macrabin,Neo-Rojamin,OH-Duphar,Oxobemin,Primabalt RP,Redisol H,Sytobex H,Vibeden,Vitadurin,Vitamin B12a,α-(5,6-Dimethylbenzimidazolyl)hydroxocobamide
Molecular Formula C62 H89 Co N13 O15 P