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9-Hydroxyellipticine Hydrochloride

CAT: 0572-TRC-H949683-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H949683-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
52238-35-4
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
Cl.Cc1c2ccncc2c(C)c3c4cc(O)ccc4[nH]c13
Molecular Formula
C17 H14 N2 O . H Cl
Molecular Weight
298.767
InChI
InChI=1S/C17H14N2O.ClH/c1-9-14-8-18-6-5-12(14)10(2)17-16(9)13-7-11(20)3-4-15(13)19-17;/h3-8,19-20H,1-2H3;1H
Additionnal Information
IUPAC name: 5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-ol;hydrochloride
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

9-Hydroxyellipticine hydrochloride
CAS Number52238-35-4
PubChem CID148569
IUPAC Name5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-ol;hydrochloride
Molecular FormulaC17H15ClN2O
Molecular Weight298.8
Topological Polar Surface Area48.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count21
Formal Charge0
Complexity374
SMILES
CC1=C2C=CN=CC2=C(C3=C1NC4=C3C=C(C=C4)O)C.Cl
InChI
InChI=1S/C17H14N2O.ClH/c1-9-14-8-18-6-5-12(14)10(2)17-16(9)13-7-11(20)3-4-15(13)19-17;/h3-8,19-20H,1-2H3;1H
InChIKey
DLDKVFOKLGPVBT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 9-Hydroxyellipticine hydrochloride
CAS: 52238-35-4
CID: 148569
Formula: C17H15ClN2O
MW: 298.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight298.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass298.0872908
Monoisotopic Mass298.0872908
Topological Polar Surface Area48.9 Ų
Heavy Atom Count21
Formal Charge0
Complexity374
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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