METHYLCOBALAMIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C62H88N13O14P.CH3.Co
Molecular Weight	1344.3823
Optical Activity	UNSPECIFIED
Defined Stereocenters	14 / 14
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[CH3-].[Co+3].[H][C@]12[N-]C(=C(C)C3=NC(=CC4=NC(=C(C)C5=N[C@]1(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)[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]2CC(N)=O

InChI

InChIKey=ZFLASALABLFSNM-QBOHGLHMSA-L

InChI=1S/C62H90N13O14P.CH3.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;;/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);1H3;/q;-1;+3/p-2/t31-,34+,35+,36+,37-,41+,52+,53+,56+,57-,59+,60-,61-,62-;;/m0../s1

HIDE SMILES / InChI

Molecular Formula	C62H87N13O14P
Molecular Weight	1269.4066
Charge	-3
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	14 / 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	CH4
Molecular Weight	16.0425
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 `Fri Dec 15 16:53:45 UTC 2023` Edited by `admin` on `Fri Dec 15 16:53:45 UTC 2023`
Record UNII	BR1SN1JS2W
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

METHYLCOBALAMIN

Common Name

English

CO-METHYLCOBINAMIDE DIHYDROGEN PHOSPHATE (ESTER) INNER SALT 3'-ESTER WITH 5,6-DIMETHYL-1-.ALPHA.-D-RIBOFURANOSYL-1H-BENZIMIDAZOLE-.KAPPA.N(SIP 3)

Common Name

English

mecobalamin [INN]

Common Name

English

MECOBALAMIN [USAN]

Common Name

English

MECOBALAMIN [MART.]

Common Name

English

Mecobalamin [WHO-DD]

Common Name

English

MECOBALAMIN

Official Name

English

ADESTOLMIN

Brand Name

English

METHYL VITAMIN B12

Common Name

English

METHYLCOBALAMIN [MI]

Common Name

English

METHYCOBAL

Brand Name

English

METHYL-5,6-DIMETHYLBENZIMIDAZOLYLCOBALAMIN

Common Name

English

MECOBALAMIN [JAN]

Common Name

English

METHYLCOBALAMIN [DSC]

Common Name

English

METHYLCOBALAMIN [VANDF]

Common Name

English

METHYLCOBALAMIN [USP-RS]

Common Name

English

METHYL B12

Common Name

English

Classification Tree Code System Code

WHO-VATC

QB03BA05