LY 266097 Hydrochloride

CAT: 0926-XGA89539-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0926-XGA89539-01Size:25 mg

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CAS Number

172895-39-5

MDL Number

MFCD00949080

Smiles

CC1=CC2=C (C=C1) NC3=C2CCNC3CC4=C (C (=C (C=C4) OC) OC) Cl.Cl

Molecular Formula

C21H23ClN2O2•HCl

Molecular Weight

370.87 g/mol

Controlled

Chemical Information

LY 266097 hydrochloride

CAS Number	172895-39-5
PubChem CID	9953184
IUPAC Name	1-[(2-chloro-3,4-dimethoxyphenyl)methyl]-6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride
Molecular Formula	C21H24Cl2N2O2
Molecular Weight	407.3
Topological Polar Surface Area	46.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	27
Formal Charge	0
Complexity	479

SMILES

CC1=CC2=C(C=C1)NC3=C2CCNC3CC4=C(C(=C(C=C4)OC)OC)Cl.Cl

InChI

InChI=1S/C21H23ClN2O2.ClH/c1-12-4-6-16-15(10-12)14-8-9-23-17(20(14)24-16)11-13-5-7-18(25-2)21(26-3)19(13)22;/h4-7,10,17,23-24H,8-9,11H2,1-3H3;1H

InChIKey

KPXKZZURYAXZQE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 172895-39-5

CID: 9953184

Formula: C21H24Cl2N2O2

MW: 407.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	407.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	406.1214834
Monoisotopic Mass	406.1214834
Topological Polar Surface Area	46.3 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	479
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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