AG00IBRW

68-19-9 | Coα-[α-(5,6-dimethylbenzimidazolyl)]-Coβcyanocobaltamide

AG00IBRW

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CAS Number	68-19-9
Catalog Number	AG00IBRW(AGN-PC-0TRPYU)
Chemical Name	Coα-[α-(5,6-dimethylbenzimidazolyl)]-Coβcyanocobaltamide
EC Number	200-680-0
IUPAC Name	cobalt(3+);[(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2R)-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-octamethyl-2,7,12,17-tetrahydro-1H-corrin-24-id-3-yl]propanoylamino]propan-2-yl] phosphate;cyanide
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;-1;+3/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m1../s1
InChI Key	FDJOLVPMNUYSCM-WZHZPDAFSA-L
MDL Number	MFCD00151092
Molecular Formula	C63H88CoN14O14P
Molecular Weight	1355.3652
SMILES	[C-](#N)[Co+3]1234[N]=5[C@@]6(C)[C@@]7([N-]1C([C@@](C)([C@H]7CC(N)=O)CCC(=O)NC[C@@H](C)OP(=O)([O-])O[C@H]8C(O)([C@@H](N9C=[N]2C=%10C9=CC(C)=C(C)C%10)O[C@@H]8CO)[H])=C(C)C%11=[N]3C(=CC%12=[N]4C(=C(C)C5[C@@H](CCC(N)=O)[C@@]6(CC(N)=O)C)[C@](CC(N)=O)(C)[C@@H]%12CCC(N)=O)C(C)(C)[C@@H]%11CCC(N)=O)[H]
Synonyms	B 12, Vitamin, B12, Vitamin, Cobalamin, Cobalamins, Cyanocobalamin, Eritron, Vitamin B 12, Vitamin B12, vitamin B12, cyanocobalamin, 68-19-9, cobalamin, Cyanocobalamin;Cyanocob(III)alamin, Cyanocobalamine, Crystamine, Anacobin, Berubigen, Cobavite, Depinar, Nascobal, Redisol, Vibisone, Cyomin, BEROCCA PN, Rubramin PC, Vi-Twel, RUBRATOPE-60 KIT, Vitamine B12, MFCD00151092, Cyanocob(III)alamin, RUBIVITE, RUVITE, DSSTox_CID_24346, DSSTox_RID_80159, DSSTox_GSID_44346, Vitamin B12 complex, cyanoject, Dicopac, Bedoz, Primabalt, Shovite, Vibal, C63H88CoN14O14P, Neuroforte-R, Cobolin-M, CAS-68-19-9, CYANOCOBALAMIN 0.1% IN MANNITOL, NCGC00016302-01, Prestwick_564, Vitabee 12, Crysti-12, 0.1% Cobalamin Concentrate Trituration w/Mannitol, DTXSID7044346, HMS1569G08, HMS2096G08, HMS3713G08, Tox21_110358, Tox21_113664, AKOS015894306, Cobalamin;vitamin B-12;Cyanocobalamin, CCG-220433, NCGC00249888-01, H486, AB2000361, V0344, alpha-(5,6-Dimethylbenzimidazolyl)cyanocobamide, Cobinamide,dihydrogenphosphate(ester),inner salt,3'-ester with(5,6-Dimethyl-1-a-d-ribofuranosyl-1H-benzimidazole-kn3),ion(1+)(9ci), Eritron, Dicopac Kit, Biocobalamine, Cianocobalamina, Sianokobalamin, Cobalamins, Coobalamed, Cykobeminet, Dodecavite, Duodecibin, Emociclina, Erythrotin, Normocytin, Novidroxin, Pernipuron, Rhodacryst, Rubrocitol, Betolvex, Byladoce, Crystamin, Crystimin, Crystwel, Cycobemin, Cycolamin, Cykobemin, Cytobion, Docemine, Docigram, Dodecabee, Eritrone, Erycytol, Euhaemon, Hepcovite, Macrabin, Magravon, Megalovel, Milbedoce, Nagravon, Pernaemon, Pernaevit, Plecyamin, Rebramin, Redamina, Rubramin, Rubripca, Vitarubin, Bevidox, Cobalin, Cobamin, Cobione, Cynobal, Cyredin, Cytacon, Cytamen, Dobetin, Docibin, Ducobee, Fresmin, Hemomin, Hepagon, Hepavis, Poyamin, Rubesol, Sytobex, Virubra, Vitaped, Embiol, Vibalt, Vitral, Cobex, Cotel, Covit, Cyanocobalaminum, Dodex, CaloMist, Cobadoce forte, Hylugel plus, Vita-rubra, Extrinsic factor, Nascobal Gel, Cabadon M, Cosmo-Rey, B-Twelve, Hemo-b-doze, LLD factor, B-Twelve ora, Factor II, vitamin B-12, B-Twelv-Ora, Bevidox concentrate, Cobalamin, cyanide, Vitamina b12, Cobalamin, cyano-, Bevatine-12, Cernevit-12, Betolvex (VAN), Betalin-12, Hepacon-B12, Vatimin B12, Cobalamin concentrate, Nascobal nasal spray, Vitamine B-12, Copharvit 5000, Crystimin-1000, M.V.I. Pediatric, B12, Vitamin, Vitamin B 12, Cyanocobalamin/VB12, Cyano-B12, Factor II (VAN), B 12, Vitamin, Factor II (vitamin), Cyanobalamin concentrate, BETALIN 12, Betalin 12 Crystalline, Vitamin B12 preparation, Distivit (B12 peptide), RUBRATOPE-57 KIT, Dimethylbenzimidazoylcobamide, Vitamin B12 (cyanocobalamin), Factor II (vitamin B12), UNII-P6YC3EG204, Cyanocobalamine [INN-French], Cyanocobalaminum [INN-Latin], Vitamin B12, 98% 1g, antipernicious anemia principle, Cianocobalamina [INN-Spanish], CCRIS 3955, CN-B12, Cyanocobalamin [BAN:INN:JAN], Cyanocobalamin [INN:BAN:JAN], HSDB 2850, Lactobacillus lactis dorner factor, Cyanocobalamin [USP:INN:BAN:JAN], EINECS 200-680-0, c0449, NSC 80365, CID5311498, 5,6-Dimethylbenzimidazolyl cyanocobamide, BRN 4122889, C63-H88-Co-N14-O14-P, Cyano-5,6-dimethylbenzimidazolylcobamide, 5,6-Dimethylbenzimidazolylcobamide cyanide, B 12, B-12, 5,6-Dimethylbenzimidazolyl-CO-cyanocobamide, Vitamin B12, 98% - 500MG 500mg, Cobalamin, cyano-5,6-dimethylbenzimidazole-, CYANOCOBALAMIN CO 57 SCHILLING TEST KIT, EC 200-680-0, Cobamide, cyano-5,6-dimethyl-1H-benzimidazole-, Cobinamide, cyanide hydroxide, dihydrogen phosphate, D014805, Cyanocobalamin;Cyano-5,6-dimethylbenzimidazole-cobalamin, Cobamide, alpha-5,6-dimethyl-1H-benzimidazolyl-, cyanide, Cyanocobalamine 96% for synthesis (Vitamine B12) 250mg, 1H-Benzimidazole, 5,6-dimethyl-1-(3-O-phosphono-alpha-D-ribofuranosyl)-, monoester with cobinamide cyanide hydroxide, inner salt, 1H-Benzimidazole, 5,6-dimethyl-1-(3-O-phosphono-alpha-D-ribofuranosyl)-, monoester with cobinamide cyanide, inner salt, B12, Cobinamide, cyanide hydroxide, dihydrogen phosphate (ester), inner salt, 3'-ester with 5,6-dimethyl-1-alpha-D-ribofuranosyl-1H-benzimidazole, Cobinamide, cyanide hydroxide, dihydrogen phosphate (ester)inner salt, 3'-ester with 5,6-dimethyl-1-alpha-D-ribofuranosyl-1H-benzimidazole, Cobinamide, cyanide, dihydrogen phosphate (ester), inner salt, 3'- ester with 5,6-dimethyl-1-alpha-D-ribofuranosyl-1H-benzimidazole,

Complexity	3220
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	14
Defined Bond Stereocenter Count	3
Exact Mass	1354.567g/mol
Formal Charge	0
Heavy Atom Count	93
Hydrogen Bond Acceptor Count	21
Hydrogen Bond Donor Count	9
Isotope Atom Count	0
Molecular Weight	1355.388g/mol
Monoisotopic Mass	1354.567g/mol
Rotatable Bond Count	26
Topological Polar Surface Area	476A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H225-H301+H311+H331-H370
Packing Group	\N
Precautionary statements	P210-P260-P280-P301+P310-P311
UN Code	\N

Certificate of Analysis

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