Products for Research Use Only
RegisterLogin

Cephaeline dihydrochloride

CAT: 0127-BUP21288-01Size: 1 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0127-BUP21288-01Size:1 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
5853-29-2
Synonyms
NSC 32944 | (-) -Cephaeline dihydrochloride | NSC32944
MDL Number
MFCD01732155
Purity
=98%
Smiles
COC(C=C(CCN1C[C@@H]2CC)C([C@]1([H])C[C@@H]2C[C@@H]3C4=CC(OC)=C(O)C=C4CCN3)=C5)=C5OC.Cl.Cl

Chemical Information

Cephaeline Dihydrochloride
CAS Number5853-29-2
PubChem CID23615629
IUPAC Name(1R)-1-[[(2S,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol;dihydrochloride
Molecular FormulaC28H40Cl2N2O4
Molecular Weight539.5
Topological Polar Surface Area63.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count36
Formal Charge0
Complexity664
SMILES
CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4)O)OC)OC)OC.Cl.Cl
InChI
InChI=1S/C28H38N2O4.2ClH/c1-5-17-16-30-9-7-19-13-27(33-3)28(34-4)15-22(19)24(30)11-20(17)10-23-21-14-26(32-2)25(31)12-18(21)6-8-29-23;;/h12-15,17,20,23-24,29,31H,5-11,16H2,1-4H3;2*1H/t17-,20-,23+,24-;;/m0../s1
InChIKey
YAOHSWWVTZSRQM-JBKGYMEJSA-N
Chemical Structure
2D Structure
2D structure of Cephaeline Dihydrochloride
CAS: 5853-29-2
CID: 23615629
Formula: C28H40Cl2N2O4
MW: 539.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight539.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass538.2365131
Monoisotopic Mass538.2365131
Topological Polar Surface Area63.2 Ų
Heavy Atom Count36
Formal Charge0
Complexity664
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

Related Products

CatalogName
BUP00683-01Cephaeline
BUP05004Cephaeline hydrochloride
OR1013406-01Formamidine disulfide dihydrochloride Disulfide Dihydrochloride
PC109003-01Flupenthixol Dihydrochloride
PC108379-01Canertinib Dihydrochloride
BUP17072-01Fluphenazine dihydrochloride
BUP16127-01Pyrithioxin dihydrochloride
BUP15683-01Levocetirizine Dihydrochloride
BUP14968-01Mitoxantrone dihydrochloride
BUP14828-01Manidipine dihydrochloride

Alternative Products

CatalogName
TQ0109-01Cephaeline dihydrochloride
MBS5764365(-)-Cephaeline dihydrochloride
HY-N2260-01Cephaeline (dihydrochloride)
HY-N2260RCephaeline (dihydrochloride) (Standard)
AB1725Cephaeline

Popular Products