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HYDROXOCOBALAMIN HYDROCHLORIDE structure, CAS 13422-52-1

HYDROXOCOBALAMIN HYDROCHLORIDE

CAS Number13422-52-1

Synonymscleomiscosin C; aquocobalamin; aquillochin; HYDROXOCOBALAMIN HYDROCHLORIDE; Urdamycinone A; aquayayamycin

Molecular FormulaC62H91CoN13O16P

Molecular Weight1364.37000

Purity98%%

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Cat. No.: 2A-1171848 Purity: 98%%
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Quality Control of [ 13422-52-1 ] Purity: 98%% SDS Specification MoL

Chemical & Physical Properties
CAS Number13422-52-1
Catalog No.2A-1171848
Chinese Nameaquacob(III)alamin
Synonymscleomiscosin C; aquocobalamin; aquillochin; HYDROXOCOBALAMIN HYDROCHLORIDE; Urdamycinone A; aquayayamycin
Molecular FormulaC62H91CoN13O16P
Molecular Weight1364.37000
Purity98%
PubChem ID43041053
SMILESCC1=C2N=C(C=C3N=C(C(C)=C4[N-]C(C(CC(N)=O)C4(C)CCC(=O)NCC(C)OP(=O)([O-])OC4C(CO)OC(n5cnc6cc(C)c(C)cc65)C4O)C4(C)N=C1C(CCC(N)=O)C4(C)CC(N)=O)C(CCC(N)=O)C3(C)C)C(CCC(N)=O)C2(C)CC(N)=O.Cl.O.[Co+2]
InChIInChI=1S/C62H90N13O14P.Co.H2O/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;;/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);;1H2/q;+3;/p-1/t31?,34-,35-,36-,37+,41+,52?,53?,56?,57+,59-,60+,61+,62+;;/m1../s1
InChI KeyBBQILPBAMXKFOB-BXSGNKEGSA-L
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