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Details

Stereochemistry ABSOLUTE
Molecular Formula C62H88N13O14P.Co.HO
Molecular Weight 1346.3551
Optical Activity UNSPECIFIED
Defined Stereocenters 13 / 14
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 8-EPIHYDROXOCOBALAMIN

SMILES

[OH-].[Co+3].C[C@H](CNC(=O)CC[C@]1(C)[C@@H](CC(N)=O)C2[N-]C1=C(C)C3=NC(=CC4=NC(=C(C)C5=N[C@]2(C)[C@@](C)(CC(N)=O)[C@@H]5CCC(N)=O)[C@](C)(CC(N)=O)[C@@H]4CCC(N)=O)C(C)(C)[C@@H]3CCC(N)=O)OP([O-])(=O)O[C@@H]6[C@@H](CO)O[C@@H]([C@@H]6O)N7C=NC8=C7C=C(C)C(C)=C8

InChI

InChIKey=YOZNUFWCRFCGIH-SEGSWNQDSA-K
InChI=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-3/t31-,34-,35-,36-,37+,41-,52-,53-,56?,57+,59-,60-,61+,62+;;/m1../s1

HIDE SMILES / InChI

Molecular Formula C62H88N13O14P
Molecular Weight 1270.4146
Charge -2
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 13 / 14
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula Co
Molecular Weight 58.9332
Charge 3
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula HO
Molecular Weight 17.0073
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:57:03 GMT 2023
Edited
by admin
on Sat Dec 16 10:57:03 GMT 2023
Record UNII
285VXT00HH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
8-EPIHYDROXOCOBALAMIN
Common Name English
C8 EPIMER OF HYDROXOCOBALAMIN
Common Name English
8-EPI-HYDROXOCOBALAMIN
Common Name English
Code System Code Type Description
FDA UNII
285VXT00HH
Created by admin on Sat Dec 16 10:57:03 GMT 2023 , Edited by admin on Sat Dec 16 10:57:03 GMT 2023
PRIMARY
PUBCHEM
123133524
Created by admin on Sat Dec 16 10:57:03 GMT 2023 , Edited by admin on Sat Dec 16 10:57:03 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
NMT 1.0%
USP