34-METHYLCYANOCOBALAMIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C62H90CoN13O14P.CN.2Co
Molecular Weight	1475.2474
Optical Activity	UNSPECIFIED
Additional Stereochemistry	Yes
Defined Stereocenters	13 / 14
E/Z Centers	0
Charge	0
Stereo Comments	Octahedral trans

SHOW SMILES / InChI

Structure Search

SMILES

[Co].[Co+3].[C-]#N.CNC(=O)CC[C@@H]1C2=N[C@@](C)(C3[N-]C(=C(C)C4=NC(=CC5=N[Co](=C2C)[C@@](C)(CC(N)=O)[C@@H]5CCC(N)=O)C(C)(C)[C@@H]4CCC(N)=O)[C@](C)(CCC(=O)NC[C@@H](C)OP([O-])(=O)O[C@@H]6[C@@H](CO)O[C@@H]([C@@H]6O)N7C=NC8=C7C=C(C)C(C)=C8)[C@H]3CC(N)=O)[C@@]1(C)CC(N)=O

InChI

InChIKey=JDGUUYUKKZSCEY-CSMDKWHXSA-L

InChI=1S/C62H92N13O14P.CN.3Co/c1-13-41-37(16-19-51(82)69-12)61(10,27-50(68)81)62(11,74-41)57-39(25-49(67)80)60(9,56(73-57)35(6)53-38(15-18-47(65)78)59(7,8)45(72-53)26-40(63)36(14-17-46(64)77)33(4)24-48(66)79)21-20-52(83)70-28-34(5)88-90(85,86)89-55-44(29-76)87-58(54(55)84)75-30-71-42-22-31(2)32(3)23-43(42)75;1-2;;;/h22-23,26,30,34,36-39,44,54-55,57-58,76,84H,14-21,24-25,27-29H2,1-12H3,(H14-,63,64,65,66,67,68,69,70,72,73,77,78,79,80,81,82,83,85,86);;;;/q2*-1;;+1;+3/p-2/t34-,36+,37-,38-,39+,44-,54-,55-,57?,58+,60-,61+,62+;;;;/m1..../s1

HIDE SMILES / InChI

Molecular Formula	C62H88CoN13O14P
Molecular Weight	1329.3478
Charge	-3
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	0
Count

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

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	CHN
Molecular Weight	27.0253
Charge	0
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 11:21:09 GMT 2023` Edited by `admin` on `Sat Dec 16 11:21:09 GMT 2023`
Record UNII	D8OB9LG813
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

34-METHYLCYANOCOBALAMIN

Common Name

English

b-N-methylcyanocobalamin

Common Name

English

34-METHYLCYANOCOBALAMIN (CONSTITUENT OF CYANOCOBALAMIN) [DSC]

Common Name

English

Coα-[α-(5,6-dimethylbenzimidazolyl)]-Coβ-cyano-b-N-methylcobamide

Systematic Name

English

CYANOCOBALAMIN IMPURITY C [EP IMPURITY]

Common Name

English

COBINAMIDE, CO-(CYANO-.KAPPA.C)-NB-METHYL-, DIHYDROGEN PHOSPHATE (ESTER), INNER SALT, 3'-ESTER WITH (5,6-DIMETHYL-1-.ALPHA.-D-RIBOFURANOSYL-1H-BENZIMIDAZOLE-.KAPPA.N3)

Common Name

English

Code System Code Type Description

FDA UNII

D8OB9LG813

Created by admin on Sat Dec 16 11:21:09 GMT 2023 , Edited by admin on Sat Dec 16 11:21:09 GMT 2023

PRIMARY

CAS

38218-51-8

Created by admin on Sat Dec 16 11:21:09 GMT 2023 , Edited by admin on Sat Dec 16 11:21:09 GMT 2023

PRIMARY

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CYANOCOBALAMIN

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