Products for Research Use Only

Catharanthine hemitartrate 1000mg

CAT: 0628-A14785-1000Size: 1000 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0628-A14785-1000Size:1000 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
4168-17-6

Chemical Information

Catharanthine hemitartrate

Catharanthine hemitartrate is an alkaloid.

CAS Number4168-17-6
PubChem CID91895516
IUPAC Name(2R,3R)-2,3-dihydroxybutanedioic acid;bis(methyl (1R,15R,18R)-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8,16-pentaene-1-carboxylate)
Molecular FormulaC46H54N4O10
Molecular Weight822.9
Topological Polar Surface Area206
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count12
Rotatable Bond Count9
Heavy Atom Count60
Formal Charge0
Complexity737
SMILES
CCC1=C[C@H]2C[C@]3([C@@H]1N(C2)CCC4=C3NC5=CC=CC=C45)C(=O)OC.CCC1=C[C@H]2C[C@]3([C@@H]1N(C2)CCC4=C3NC5=CC=CC=C45)C(=O)OC.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
InChI
InChI=1S/2C21H24N2O2.C4H6O6/c2*1-3-14-10-13-11-21(20(24)25-2)18-16(8-9-23(12-13)19(14)21)15-6-4-5-7-17(15)22-18;5-1(3(7)8)2(6)4(9)10/h2*4-7,10,13,19,22H,3,8-9,11-12H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/t2*13-,19+,21-;1-,2-/m001/s1
InChIKey
OXIDCVCPXUNSCI-DWGLLIDUSA-N
Chemical Structure
2D Structure
2D structure of Catharanthine hemitartrate
CAS: 4168-17-6
CID: 91895516
Formula: C46H54N4O10
MW: 822.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight822.9
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count12
Rotatable Bond Count9
Exact Mass822.38399393
Monoisotopic Mass822.38399393
Topological Polar Surface Area206 Ų
Heavy Atom Count60
Formal Charge0
Complexity737
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes