COBAMAMIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C62H88N13O14P.C10H12N5O3.Co
Molecular Weight	1579.5818
Optical Activity	UNSPECIFIED
Defined Stereocenters	17 / 18
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

SMILES

[Co+3].[CH2-][C@H]1O[C@H]([C@@H](O)[C@@H]1O)N2C=NC3=C2N=CN=C3N.C[C@H](CNC(=O)CC[C@]4(C)[C@@H](CC(N)=O)C5[N-]C4=C(C)C6=NC(=CC7=NC(=C(C)C8=N[C@]5(C)[C@@](C)(CC(N)=O)[C@@H]8CCC(N)=O)[C@@](C)(CC(N)=O)[C@@H]7CCC(N)=O)C(C)(C)[C@@H]6CCC(N)=O)OP([O-])(=O)O[C@@H]9[C@@H](CO)O[C@@H]([C@@H]9O)N%10C=NC%11=C%10C=C(C)C(C)=C%11

InChI

InChIKey=OAJLVMGLJZXSGX-NDSREFPTSA-L

InChI=1S/C62H90N13O14P.C10H12N5O3.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;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/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);2-4,6-7,10,16-17H,1H2,(H2,11,12,13);/q;-1;+3/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56?,57+,59-,60+,61+,62+;4-,6-,7+,10-;/m11./s1

HIDE SMILES / InChI

Molecular Formula	Co
Molecular Weight	58.9332
Charge	3
Count	MOL RATIO 1 MOL RATIO (average)

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C10H11N5O3
Molecular Weight	249.226
Charge	-2
Count	MOL RATIO 1 MOL RATIO (average)

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	C62H89N13O14P
Molecular Weight	1271.4225
Charge	-1
Count	MOL RATIO 1 MOL RATIO (average)

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	13 / 14
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description

Cobamamide is one of the active forms of vitamin B12 that is also known as adenosylcobalamin or dibencozide. This drug is available as a nutritional supplement to prevent the vitamin B12 deficiency. Liposomal formulation of cobamamide was developed for the treatment of atopic dermatitis by a Korean company Hanall Biopharma.