Cyanocobalamin - Ph.Eur. , CAS No.68-19-9

CAS: 68-19-9 Cat. No.: C433315 분자식: C₆₃H₈₈CoN₁₄O₁₄P 분자량: 1355.37 Beilstein Registry Number: 4122889 EC 번호: 200-680-0 PubChem CID: 5311498

GRADE & PURITY Ph.Eur.

Synonyms

CCG-220433 | Q55167869 | vitamin B12 | CAS-68-19-9 | HMS3713G08 | Cyanocob(III)alamin | HMS1569G08 | Cyanocobalamin;Cyanocob(III)alamin | NCGC00016302-01 | Cobinamide,dihydrogenphosphate(ester),inner salt,3'-ester with(5,6-Dimethyl-1-a-d-ribofuranosyl-1H-

Storage

Store at 2-8°C

Shipped In

Wet ice

개요

General Description

Cyanocobalamin, also referred to as Vitamin B 12 , is a water soluble vitamin.

Application

Cyanocobalamin was added in the assay buffer during the analysis step of ELISA for ensuring that all transcobalamin was saturated with cobalamin before analysis. Cyanocobalamin was also used for examining its impact on the expression of mPer1 and mPer2 in vivo .

Specifications

동의어

CCG-220433 | Q55167869 | vitamin B12 | CAS-68-19-9 | HMS3713G08 | Cyanocob(III)alamin | HMS1569G08 | Cyanocobalamin;Cyanocob(III)alamin | NCGC00016302-01 | Cobinamide,dihydrogenphosphate(ester),inner salt,3'-ester with(5,6-Dimethyl-1-a-d-ribofuranosyl-1H-

사양 및 순도

Ph.Eur.

생화학 및 생리적 메커니즘

Cyanocobalamin refers to a group of chemically-related cobalt containing molecules involved in cell processes such as DNA synthesis, fatty acid synthesis, energy production and regulation. Cyanocobalamin along with other B vitamins thiamine (B1) and pyrid

보관 조건

Store at 2-8°C

배송

Wet ice

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등급

Ph.Eur.

이름과 식별자

정식 스마일

CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)([O-])OC(C)CNC(=O)CCC4(C(C5C6(C(C(C(=C(C7=NC(=CC8=NC(=C(C4=N5)C)C(C8(C)C)CCC(=O)N)C(C7(C)CC(=O)N)CCC(=O)N)C)[N-]6)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[C-]#N.[Co+3]

IUPAC Name

cobalt(3+);[(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2R)-1-[3-[(1R,2R,3R,5Z,7S,10Z,12S,13S,15Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-24-id-3-yl]propanoylamino]propan-2-yl] phosphate;cyanide

InChIKey

FDJOLVPMNUYSCM-WZHZPDAFSA-L

INCHI

1S/C62H90N13O14P.CN.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;1-2;/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);;/q;-1;+3/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m1../s1

이성체 SMILES

CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)([O-])O[C@H](C)CNC(=O)CC[C@@]4([C@H]([C@@H]5[C@]6([C@@]([C@@H](/C(=C(/C7=N/C(=C\C8=N/C(=C(\C4=N5)/C)/[C@H](C8(C)C)CCC(=O)N)/[C@H]([C@]7(C)CC(=O)N)CCC(=O)N)\C)/[N-]6)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[C-]#N.[Co+3]

WGK 독일

1

RTECS

GG3750000

PubChem CID

5311498

분자량

1355.37

Beilstein

4122889

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Tetrapyrroles and derivatives
      • Subclass Corrinoids

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Tetrapyrroles and derivatives
• Subclass: Corrinoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Cobalamin derivatives
• Alternative Parents: Metallotetrapyrroles Benzimidazole ribonucleosides and ribonucleotides Pentose phosphates Glycosylamines Monosaccharide phosphates Benzimidazoles Phosphoethanolamines Dialkyl phosphates Fatty amides N-substituted imidazoles Benzenoids Heteroaromatic compounds Pyrrolidines Tetrahydrofurans Pyrrolines Secondary alcohols Ketimines Secondary carboxylic acid amides Primary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Carbene-type 1,3-dipolar compounds Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic cobalt salts Organic oxides Organic zwitterions Organopnictogen compounds Primary alcohols
• Molecular Framework: Not available
• Substituents: Cobalamin - Metallotetrapyrrole skeleton - 1-ribofuranosylbenzimidazole - Pentose phosphate - N-glycosyl compound - Glycosyl compound - Monosaccharide phosphate - Pentose monosaccharide - Benzimidazole - Phosphoethanolamine - Dialkyl phosphate - Phosphoric acid ester - Fatty amide - Fatty acyl - Monosaccharide - N-substituted imidazole - Organic phosphoric acid derivative - Alkyl phosphate - Benzenoid - Azole - Tetrahydrofuran - Imidazole - Pyrrolidine - Heteroaromatic compound - Pyrroline - Carboxamide group - Ketimine - Secondary carboxylic acid amide - Secondary alcohol - Primary carboxylic acid amide - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Oxacycle - Carbene-type 1,3-dipolar compound - Organic 1,3-dipolar compound - Azacycle - Organic transition metal salt - Carbonyl group - Organic cobalt salt - Imine - Organic salt - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Alcohol - Organic zwitterion - Organic nitrogen compound - Organic oxygen compound - Primary alcohol - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as cobalamin derivatives. These are organic compounds containing a corrin ring, a cobalt atom, an a nucleotide moiety. Cobalamin Derivatives are actually derived from vitamin B12.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

화학 및 물리적 특성

• 용해성: water: soluble 1 gm in 80 ml; acetone: insoluble; alcohol: soluble; chloroform: insoluble; diethyl ether: insoluble
• 녹는점(°C): >300°C
• 분자량: 1355.400 g/mol
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 21
• Rotatable Bond Count: 26
• Exact Mass: 1354.57 Da
• Monoisotopic Mass: 1354.57 Da
• Topological Polar Surface Area: 476.000 Ų
• Heavy Atom Count: 93
• Formal Charge: 0
• Complexity: 3220.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 14
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 3
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 3
• Covalently-Bonded Unit Count: 3

XLogP3

자주 묻는 질문

What does Ph.Eur. mean?

Ph.Eur. indicates that the material complies with the published monographs of the relevant pharmacopoeia (Ph.Eur.). Specifications include identity, assay, impurity limits, residual solvents and other tests defined in the monograph. Ph.Eur.-compliant material is suitable for pharmacopoeia-compliant pharmaceutical use, including pharmaceutical manufacturing, QC and regulatory submission.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 68-19-9, the molecular formula is C63H88CoN14O14P, and the molecular weight is 1355.37 g/mol. InChIKey FDJOLVPMNUYSCM-WZHZPDAFSA-L.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.