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Molecule

Extrinsic factor

CAS: 68-19-9 · C63H88CoN14O14P

2D Structure

3D Structure

Loading 3D structure...

Basic Information

CAS Registry Number
68-19-9
Molecular Formula
C63H88CoN14O14P
Molecular Mass
1355.39 g/mol

Identifiers

CAS Registry Number

68-19-9

SMILES

CC1=C2N=C(C=C3N=C(C(C)=C4N[C@@](C)([C@@H]5N=C1[C@](C)(CCC(O)=NC[C@@H](C)OP(=O)(O)O[C@H]1C(O)[C@@H]([n+]6c[nH]c7cc(C)c(C)cc76)O[C@@H]1CO)[C@H]5CC(=N)O)[C@@](C)(CC(=N)O)[C@@H]4CCC(=N)[O-])[C@@](C)(CC(=N)O)[C@@H]3CCC(=N)[O-])C(C)(C)[C@@H]2CCC(=N)[O-].[C-]#N.[Co+3]

InChI Key

FDJOLVPMNUYSCM-SYUKHSAKSA-L

InChI

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

Names and Synonyms

  • Extrinsic factor Synonym
  • Fresmin Synonym
  • Hemo-b-doze Synonym
  • Hemomin Synonym
  • Hepagon Synonym
  • Hepavis Synonym
  • Hepcovite Synonym
  • Lactobacillus lactis dorner factor Synonym
  • LLD factor Synonym
  • Macrabin Synonym
  • Megalovel Synonym
  • Milbedoce Synonym
  • Nagravon Synonym
  • Normocytin Synonym
  • Pernaemon Synonym
  • Pernaevit Synonym
  • Pernipuron Synonym
  • Plecyamin Synonym
  • Poyamin Synonym
  • Rebramin Synonym
  • Redamina Synonym
  • Redisol Synonym
  • Rhodacryst Synonym
  • Rubesol Synonym
  • Rubramin Synonym
  • Rubripca Synonym
  • Rubrocitol Synonym
  • B-Twelve Synonym
  • B-Twelve Ora Synonym
  • Vibalt Synonym
  • Vibisone Synonym
  • Virubra Synonym
  • Vitarubin Synonym
  • Vita-rubra Synonym
  • Vitral Synonym
  • Cobalamin, cyanide Synonym
  • Cobalamin, cyano- Synonym
  • Cobamin Synonym
  • Cykobemin Synonym
  • Factor II (vitamin) Synonym
  • Cobamide, α-5,6-dimethyl-1H-benzimidazolyl-, cyanide Synonym
  • 1H-Benzimidazole, 5,6-dimethyl-1-(3-O-phosphono-α-D-ribofuranosyl)-, monoester with cobinamide cyanide, inner salt Synonym
  • Cobamide, cyano-5,6-dimethyl-1H-benzimidazole- Synonym
  • Cyano-5,6-dimethylbenzimidazolylcobamide Synonym
  • 5,6-Dimethylbenzimidazolyl-Co-cyanocobamide Synonym
  • Vitamin B12 preparation Synonym
  • Betolvex Synonym
  • Cobalamin, cyano-5,6-dimethylbenzimidazole- Synonym
  • CN-B12 Synonym
  • Factor II Synonym
  • Depinar Synonym
  • Cobinamide, cyanide, dihydrogen phosphate (ester), inner salt, 3′-ester with 5,6-dimethyl-1-α-D-ribofuranosyl-1H-benzimidazole Synonym
  • Hepavit Synonym
  • Docivit Synonym
  • Behepan Synonym
  • Bedoz Synonym
  • Berubigen Synonym
  • Antipernicin Synonym
  • Rubramin PC Synonym
  • Millevit Synonym
  • Berubi Synonym
  • Vitasprint B12 Synonym
  • Dicopac Kit Synonym
  • Betalin 12 Crystalline Synonym
  • Crystamine Synonym
  • Bedodeka Synonym
  • Cyredin Synonym
  • Cyomin Synonym
  • SMARTShot B12 Synonym
  • NSC 80365 Synonym
  • Cromatonbic B12 Synonym
  • Regividerm cream Synonym
  • Rheumazin Synonym
  • Nascobal Synonym
  • Rubivamine Synonym
  • Apikobal Synonym
  • Eligen B12 Synonym
  • Optovite B12 Synonym
  • Castle's factor Synonym
  • Castle's extrinsic factor Synonym
  • Castle's gastric factor Synonym
  • Vitamin B12 Synonym
  • Sytobex Synonym
  • Vitamin B12 Synonym
  • Anacobin Synonym
  • Betalin 12 Synonym
  • Betaline 12 Synonym
  • Byladoce Synonym
  • Cobalin Synonym
  • Cotel Synonym
  • Covit Synonym
  • Crystamin Synonym
  • Cyano-B12 Synonym
  • Cyanocobalamin Synonym
  • Cyanocobalamine Synonym
  • Cycolamin Synonym
  • Cykobeminet Synonym
  • Cytacon Synonym
  • Cytamen Synonym
  • Cytobion Synonym
  • 5,6-Dimethylbenzimidazolyl cyanocobamide Synonym
  • Dobetin Synonym
  • Docemine Synonym
  • Docibin Synonym
  • Docigram Synonym
  • Dodecabee Synonym
  • Dodecavite Synonym
  • Dodex Synonym
  • Ducobee Synonym
  • Duodecibin Synonym
  • Embiol Synonym
  • Emociclina Synonym
  • Eritrone Synonym
  • Erycytol Synonym
  • Erythrotin Synonym
  • Euhaemon Synonym

All Properties

Comprehensive physical and chemical properties

Property Value Source
Molecular Mass 1355.39 g/mol CAS Common Chemistry
1355.388 g/mol RDKit
1361.436 g/mol chempirical lib
Boiling Point >300 °C CAS Common Chemistry
Canonical SMILES N#[C-][Co+3]1234[N]5=CN(C=6C=C(C(=CC65)C)C)C7OC(CO)C(OP(=O)([O-])OC(C)CNC(=O)CCC8(C9=C(C%10=[N]4C(=CC%11=[N]3C(=C(C%12=[N]2C(C)(C([N-]91)C8CC(=O)N)C(C)(CC(=O)N)C%12CCC(=O)N)C)C(C)(CC(=O)N)C%11CCC(=O)N)C(C)(C)C%10CCC(=O)N)C)C)C7O CAS Common Chemistry
InChI 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 CAS Common Chemistry
InChI Key InChIKey=FDJOLVPMNUYSCM-SYUKHSAKSA-L CAS Common Chemistry
Melting Point >300 °C CAS Common Chemistry
Name Vitamin B12 CAS Common Chemistry
Heavy Atom Count 93 RDKit
Hydrogen Bond Acceptors 21 RDKit
Hydrogen Bond Donors 15 RDKit
Rotatable Bonds 26 RDKit
Aromatic Ring Count 2 RDKit
Topological Polar Surface Area 503.5800000000001 Ų RDKit
503.58 Ų RDKit
LogP 6.223230000000008 RDKit
6.2232 RDKit
Molar Refractivity 338.3267000000005 cm³/mol RDKit
Ring Count 8 RDKit
Formal Charge 0 RDKit
Fraction Csp3 0.619 RDKit
0.63 chempirical lib
Exact Mass 1354.5674001259995 g/mol RDKit

Spectral Data

NMR, IR, and Mass spectral data

Predicting NMR spectra...
10 ppm 9 8 7 6 5 4 3 2 1 0 ppm
Shift (ppm) Multiplicity Integration Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

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MW = 1355.39 g/mol. Edit any field — others recompute live.

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