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Hydroxocobalamin Hydrochloride

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Hydroxocobalamin Hydrochloride / CAS : 58288-50-9

Appearance white solid UN -
HS 29362600 DG Class -
Synonyms Hydroxocobalamine Hydrochloride; Aquocobalamin Chloride; Hydroxocobalamine; Hydroxycobalamin Hydrochloride; Alpha-(5,6-Dimethylbenzimidazolyl)Hydroxocobamide Hydrochloride; Oh-Cbl Hcl; Vitamin B12A
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Properties

Summary

Formula
C62H90ClCoN13O15P
Molecular Mass
1382.82
Exact Mass
1382.55156
PSA
453.44000
Logp
5.88100
IUPAC
cobalt(2+);[(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2R)-1-[3-[(1R,2R,3R,4Z,7S,9Z,12S,13S,14Z,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-21-id-3-yl]propanoylamino]propan-2-yl] phosphate;hydrate;hydrochloride
SMILES
CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)([O-])OC(C)CNC(=O)CC[C@@]4(C(C5[C@]6([C@@](C(C(=N6)C(=C7[C@@](C(C(=N7)C=C8C(C(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.Cl.[Co+2]

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Pharmaceutical Raw Materials

Chemical and Physical Properties

Appearance
white solid
Acidity and Basicity
acidness

Export information

HS Code
29362600
Export Rebate
13%
Risk Code
R36/37/38
Safety Label
Xi

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