Product Code

TRC-H862823

CAS Number

58288-50-9

Product Format

Neat

Molecular Formula

C62 H89 Co N13 O15 P . Cl H

Molecular Weight

1382.82

API Family

Hydroxocobalamin

Product Categories

TRC, API Reference Standards & Research Materials, Pharmaceutical Toxicology Reference Materials , Impurity Reference Materials

Product Type

Impurity, API

Alternate CAS Number

Free acid: 13422-51-0

Price and availability

48-hour USA dispatch time

Freight restricted.

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Documentation

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Product Information

Chemical Data

Analyte Name

Hydroxocobalamin hydrochloride

CAS Number

58288-50-9

Molecular Formula

C62 H89 Co N13 O15 P . Cl H

Molecular Weight

1382.82

Accurate Mass

1381.5437

SMILES

Cl.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

InChI

InChI=1S/C62H90N13O14P.ClH.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);1H;;1H2/q;;+3;/p-3/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;;/m1.../s1

Alternate CAS Number

Free acid: 13422-51-0

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API

Product Format

Neat

API Family

Hydroxocobalamin

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Hydroxocobalamin Hydrochloride (>85%)

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