Products for Research Use Only
RegisterLogin

Cyanocobalamin EP Impurity A

CAT: 1596-AR-C03756-01Size: 10 UnitsDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:1596-AR-C03756-01Size:10 Units
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
23208-66-4
Synonyms
Vitamin B12 c-lactone; Coα-[α- (5,6-dimethylbenzimidazolyl) ]-Coβ-cyano-8β-hydroxycobamic a, b, d, e, g-pentaamidec,8-γ-lactone; Cyanocobalamin 7β,8β-lactone ; cyanocobalamin c,8-lactone
Molecular Formula
C63H85CoN13O15P
Molecular Weight
1354.36
API Name
Cyanocobalamin

Chemical Information

Vitamin B12 c-lactone
CAS Number23208-66-4
PubChem CID169447717
IUPAC Name[(2R)-1-[3-[(4S,5S,6R,7R,8R,9R,13S,18R,22R)-5,8-bis(2-amino-2-oxoethyl)-4,13,18-tris(3-amino-3-oxopropyl)-2,5,6,9,11,14,14,22-octamethyl-20-oxo-19-oxa-23,24,26-triaza-25-azanidahexacyclo[15.5.1.13,6.17,10.112,15.018,22]hexacosa-1,3(26),10,12(24),15,17(23)-hexaen-9-yl]propanoylamino]propan-2-yl] [(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] phosphate;cobalt(3+);cyanide
Molecular FormulaC63H85CoN13O15P
Molecular Weight1354.3
Topological Polar Surface Area459
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count22
Rotatable Bond Count14
Heavy Atom Count93
Formal Charge0
Complexity3290
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(=N6)C(=C7[C@]8(CC(=O)O[C@]8(C(=N7)C=C9C([C@@H](C(=N9)C(=C4[N-]5)C)CCC(=O)N)(C)C)CCC(=O)N)C)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[C-]#N.[Co+3]
InChI
InChI=1S/C62H87N12O15P.CN.Co/c1-29-20-37-38(21-30(29)2)74(28-69-37)56-51(83)52(39(27-75)86-56)89-90(84,85)88-31(3)26-68-47(81)17-18-58(8)36(22-45(66)79)55-61(11)59(9,24-46(67)80)35(13-15-43(64)77)50(73-61)33(5)54-60(10)25-48(82)87-62(60,19-16-44(65)78)41(71-54)23-40-57(6,7)34(12-14-42(63)76)49(70-40)32(4)53(58)72-55;1-2;/h20-21,23,28,31,34-36,39,51-52,55-56,75,83H,12-19,22,24-27H2,1-11H3,(H13,63,64,65,66,67,68,70,71,72,73,76,77,78,79,80,81,84,85);;/q;-1;+3/p-2/t31-,34-,35-,36+,39-,51-,52-,55-,56+,58-,59+,60-,61+,62+;;/m1../s1
InChIKey
OJSKLTTYSHGOIF-KGENESBSSA-L
Chemical Structure
2D Structure
2D structure of Vitamin B12 c-lactone
CAS: 23208-66-4
CID: 169447717
Formula: C63H85CoN13O15P
MW: 1354.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1354.3
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count22
Rotatable Bond Count14
Exact Mass1353.535765
Monoisotopic Mass1353.535765
Topological Polar Surface Area459 Ų
Heavy Atom Count93
Formal Charge0
Complexity3290
Isotope Atom Count0
Defined Atom Stereocenter Count14
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count3
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

Related Products

CatalogName
AR-C05531-01Cyanocobalamin Desmethyl Impurity
AR-C08552-01Cyanocobalamin Impurity 12
AR-C08551-01Cyanocobalamin Impurity 11
AR-C08550-01Cyanocobalamin Impurity 9
AR-C08549-01Cyanocobalamin Impurity 8
AR-C08548-01Cyanocobalamin Impurity 6
AR-C05530-01Cyanocobalamin Methyl Alcohol Impurity
AR-C05529-01Cyanocobalamin Amide Ring Impurity
AR-S02089-01Sulpiride EP Impurity A (Amisulpride EP Impurity A)
AR-D02620-01Ebastine EP Impurity A (Diphenhydramine EP Impurity D)

Alternative Products

CatalogName
RM-V307878-01Cyanocobalamin Impurity 110 (Cyanocobalamin C37 decarbonylated)
RM-V307862-01Cyanocobalamin Impurity 98
RM-V307866-01Cyanocobalamin Impurity 101
RM-V307872-01Cyanocobalamin Impurity 107
RM-V307860-01Cyanocobalamin Impurity 96
RM-V307883-01Cyanocobalamin Impurity 114
RM-V307870-01Cyanocobalamin Impurity 105
RM-V307863-01Cyanocobalamin Impurity 99
RM-V307867-01Cyanocobalamin Impurity 102
RM-V307768-01Cyanocobalamin Impurity 68

Popular Products