Ellipticine hydrochloride

CAT: 0127-BUP06227-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP06227-01Size:5 mg

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CAS Number

5081-48-1

Synonyms

Ellipticine HCl, NSC 71795 (hydrochloride)

Purity

=95%

Smiles

Cl.Cc1c2[nH]c3ccccc3c2c(C)c2cnccc12

Chemical Information

Ellipticine hydrochloride

CAS Number	5081-48-1
PubChem CID	169532
IUPAC Name	5,11-dimethyl-6H-pyrido[4,3-b]carbazole;hydrochloride
Molecular Formula	C17H15ClN2
Molecular Weight	282.8
Topological Polar Surface Area	28.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	20
Formal Charge	0
Complexity	342

SMILES

CC1=C2C=CN=CC2=C(C3=C1NC4=CC=CC=C43)C.Cl

InChI

InChI=1S/C17H14N2.ClH/c1-10-14-9-18-8-7-12(14)11(2)17-16(10)13-5-3-4-6-15(13)19-17;/h3-9,19H,1-2H3;1H

InChIKey

VSBNVARERCGCEF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 5081-48-1

CID: 169532

Formula: C17H15ClN2

MW: 282.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	282.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	282.0923762
Monoisotopic Mass	282.0923762
Topological Polar Surface Area	28.7 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	342
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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Catalog	Name
T4614-01	Ellipticine hydrochloride
HY-15753A-01	Ellipticine (hydrochloride)
HY-15753AR-01	Ellipticine (hydrochloride) (Standard)
MBS3607525-01	Ellipticine