50-CARBOXYCYANOCOBALAMIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C62H87N12O15P.CN.Co
Molecular Weight	1356.3499
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+3].[C-]#N.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(O)=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=KEKAGBDRPDSHOA-UVKKECPRSA-L

InChI=1S/C62H89N12O15P.CN.Co/c1-29-20-39-40(21-30(29)2)74(28-69-39)57-52(84)53(41(27-75)87-57)89-90(85,86)88-31(3)26-68-48(81)18-19-59(8)37(22-45(65)78)56-62(11)61(10,25-47(67)80)36(13-16-44(64)77)51(73-62)33(5)55-60(9,24-46(66)79)34(12-15-43(63)76)38(70-55)23-42-58(6,7)35(14-17-49(82)83)50(71-42)32(4)54(59)72-56;1-2;/h20-21,23,28,31,34-37,41,52-53,56-57,75,84H,12-19,22,24-27H2,1-11H3,(H14,63,64,65,66,67,68,70,71,72,73,76,77,78,79,80,81,82,83,85,86);;/q;-1;+3/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56?,57+,59-,60+,61+,62+;;/m1../s1

HIDE SMILES / InChI

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

Molecular Formula	C62H86N12O15P
Molecular Weight	1270.3914
Charge	-3
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:21:10 GMT 2023` Edited by `admin` on `Sat Dec 16 11:21:10 GMT 2023`
Record UNII	JZ7S5USX27
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

50-CARBOXYCYANOCOBALAMIN

Common Name

English

50-CARBOXYCYANOCOBALAMIN (CONSTITUENT OF CYANOCOBALAMIN) [DSC]

Common Name

English

COBALAMIN-MONOCARBOXYLIC ACID

Common Name

English

Coα-[α-(5,6-dimethylbenzimidazolyl)]-Coβ-cyanocobamic a,b,c,d,g-pentaamide

Systematic Name

English

COBINIC ACID-ABCDG-PENTAMIDE, CO-(CYANO-.KAPPA.C)-, DIHYDROGEN PHOSPHATE (ESTER), INNER SALT, 3'-ESTER WITH (5,6-DIMETHYL-1-.ALPHA.-D-RIBOFURANOSYL-1H-BENZIMIDAZOLE-.KAPPA.N3)

Common Name

English

COBINIC ACID-ABCDG-PENTAMIDE, CYANIDE HYDROXIDE, DIHYDROGEN PHOSPHATE (ESTER), INNER SALT, 3'-ESTER WITH 5,6-DIMETHYL-1-.ALPHA.-D-RIBOFURANOSYLBENZIMIDAZOLE

Common Name

English

CYANOCOBALAMIN IMPURITY B [EP IMPURITY]

Common Name

English

VITAMIN B12 E-MONOCARBOXYLIC ACID

Common Name

English

Code System Code Type Description

FDA UNII

JZ7S5USX27

Created by admin on Sat Dec 16 11:21:10 GMT 2023 , Edited by admin on Sat Dec 16 11:21:10 GMT 2023

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PUBCHEM

131635129

Created by admin on Sat Dec 16 11:21:10 GMT 2023 , Edited by admin on Sat Dec 16 11:21:10 GMT 2023

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CAS

26264-28-8

Created by admin on Sat Dec 16 11:21:10 GMT 2023 , Edited by admin on Sat Dec 16 11:21:10 GMT 2023

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CYANOCOBALAMIN

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