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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
Names and Synonyms:
Extrinsic factor
Fresmin
Hemo-b-doze
Hemomin
Hepagon
Hepavis
Hepcovite
Lactobacillus lactis dorner factor
LLD factor
Macrabin
Megalovel
Milbedoce
Nagravon
Normocytin
Pernaemon
Pernaevit
Pernipuron
Plecyamin
Poyamin
Rebramin
Redamina
Redisol
Rhodacryst
Rubesol
Rubramin
Rubripca
Rubrocitol
B-Twelve
B-Twelve Ora
Vibalt
Vibisone
Virubra
Vitarubin
Vita-rubra
Vitral
Cobalamin, cyanide
Cobalamin, cyano-
Cobamin
Cykobemin
Factor II (vitamin)
Cobamide, α-5,6-dimethyl-1H-benzimidazolyl-, cyanide
1H-Benzimidazole, 5,6-dimethyl-1-(3-O-phosphono-α-D-ribofuranosyl)-, monoester with cobinamide cyanide, inner salt
Cobamide, cyano-5,6-dimethyl-1H-benzimidazole-
Cyano-5,6-dimethylbenzimidazolylcobamide
5,6-Dimethylbenzimidazolyl-Co-cyanocobamide
Vitamin B12 preparation
Betolvex
Cobalamin, cyano-5,6-dimethylbenzimidazole-
CN-B12
Factor II
Depinar
Cobinamide, cyanide, dihydrogen phosphate (ester), inner salt, 3′-ester with 5,6-dimethyl-1-α-D-ribofuranosyl-1H-benzimidazole
Hepavit
Docivit
Behepan
Bedoz
Berubigen
Antipernicin
Rubramin PC
Millevit
Berubi
Vitasprint B12
Dicopac Kit
Betalin 12 Crystalline
Crystamine
Bedodeka
Cyredin
Cyomin
SMARTShot B12
NSC 80365
Cromatonbic B12
Regividerm cream
Rheumazin
Nascobal
Rubivamine
Apikobal
Eligen B12
Optovite B12
Castle's factor
Castle's extrinsic factor
Castle's gastric factor
Vitamin B12
Sytobex
Vitamin B12
Anacobin
Betalin 12
Betaline 12
Byladoce
Cobalin
Cotel
Covit
Crystamin
Cyano-B12
Cyanocobalamin
Cyanocobalamine
Cycolamin
Cykobeminet
Cytacon
Cytamen
Cytobion
5,6-Dimethylbenzimidazolyl cyanocobamide
Dobetin
Docemine
Docibin
Docigram
Dodecabee
Dodecavite
Dodex
Ducobee
Duodecibin
Embiol
Emociclina
Eritrone
Erycytol
Erythrotin
Euhaemon
Identifiers:
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:
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
Key Properties
Boiling Point
>300 °C
CAS Common Chemistry
Melting Point
>300 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 1355.39 g/mol | CAS Common Chemistry |
| 1355.388 g/mol | RDKit | |
| 1354.5674001259995 g/mol | RDKit | |
| 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 |
| LogP | 6.223230000000008 | RDKit |
| Molar Refractivity | 338.3267000000005 | RDKit |
