Tetrahydroellipticine

CAT: 0127-BUP21571-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP21571-01Size:1 mg

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CAS Number

6538-51-8

Synonyms

1,2,3,4-Tetrahydro-ellipticin , 1,2,3,4-Tetrahydroellipticin

Purity

≥98%

Smiles

C=1C=CC2=C (C1) NC=3C2=C (C4=C (C3C) CCNC4) C

Chemical Information

Tetrahydroellipticine

CAS Number	6538-51-8
PubChem CID	15521335
IUPAC Name	5,11-dimethyl-2,3,4,6-tetrahydro-1H-pyrido[4,3-b]carbazole
Molecular Formula	C17H18N2
Molecular Weight	250.34
XLogP	3.5
Topological Polar Surface Area	27.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	19
Formal Charge	0
Complexity	342

SMILES

CC1=C2CCNCC2=C(C3=C1NC4=CC=CC=C43)C

InChI

InChI=1S/C17H18N2/c1-10-14-9-18-8-7-12(14)11(2)17-16(10)13-5-3-4-6-15(13)19-17/h3-6,18-19H,7-9H2,1-2H3

InChIKey

QWNBKSXDPRAYFB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6538-51-8

CID: 15521335

Formula: C17H18N2

MW: 250.34

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	250.34
XLogP3	3.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	250.146998583
Monoisotopic Mass	250.146998583
Topological Polar Surface Area	27.8 Å²
Heavy Atom Count	19
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	1
Compound Is Canonicalized	Yes

Catalog	Name
HY-N15753	Tetrahydroellipticine