DESCOBALT COBALAMIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C62H90N13O14P
Molecular Weight	1272.4305
Optical Activity	UNSPECIFIED
Defined Stereocenters	14 / 14
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12NC(=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=XIMXJQOPHNZJDD-MEWWDOPBSA-N

InChI=1S/C62H90N13O14P/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/h20-21,23,28,31,34-37,41,52-53,56-57,73,76,84H,12-19,22,24-27H2,1-11H3,(H2,63,77)(H2,64,78)(H2,65,79)(H2,66,80)(H2,67,81)(H2,68,82)(H,69,83)(H,85,86)/b42-23-,54-32-,55-33-/t31-,34+,35+,36+,37-,41+,52+,53+,56+,57-,59+,60-,61-,62-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C62H90N13O14P
Molecular Weight	1272.4305
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 07:18:55 GMT 2023` Edited by `admin` on `Sat Dec 16 07:18:55 GMT 2023`
Record UNII	4071IF7E93
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DESCOBALT COBALAMIN

Common Name

English

HYDROGENOBINAMIDE, DIHYDROGEN PHOSPHATE (ESTER), 3'-ESTER WITH 5,6-DIMETHYL-1-.ALPHA.-D-RIBOFURANOSYL-1H-BENZIMIDAZOLE

Common Name

English

Code System Code Type Description

FDA UNII

4071IF7E93

Created by admin on Sat Dec 16 07:18:55 GMT 2023 , Edited by admin on Sat Dec 16 07:18:55 GMT 2023

PRIMARY

PUBCHEM

24758535

Created by admin on Sat Dec 16 07:18:55 GMT 2023 , Edited by admin on Sat Dec 16 07:18:55 GMT 2023

PRIMARY

CAS

41632-95-5

Created by admin on Sat Dec 16 07:18:55 GMT 2023 , Edited by admin on Sat Dec 16 07:18:55 GMT 2023

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