Pirlindole mesylate

CAT: 0926-HIA57266-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-HIA57266-01Size:50 mg

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CAS Number

207572-66-5

Smiles

CC1=CC2=C (C=C1) N3CCNC4C3=C2CCC4.CS (=O) (=O) O

Molecular Formula

C16H22N2O3S

Molecular Weight

322.4 g/mol

Controlled

Chemical Information

Pirlindole mesylate

CAS Number	207572-66-5
PubChem CID	2829432
IUPAC Name	methanesulfonic acid;12-methyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene
Molecular Formula	C16H22N2O3S
Molecular Weight	322.4
Topological Polar Surface Area	79.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Heavy Atom Count	22
Formal Charge	0
Complexity	396

SMILES

CC1=CC2=C(C=C1)N3CCNC4C3=C2CCC4.CS(=O)(=O)O

InChI

InChI=1S/C15H18N2.CH4O3S/c1-10-5-6-14-12(9-10)11-3-2-4-13-15(11)17(14)8-7-16-13;1-5(2,3)4/h5-6,9,13,16H,2-4,7-8H2,1H3;1H3,(H,2,3,4)

InChIKey

PVUYTBQAVAYLDE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 207572-66-5

CID: 2829432

Formula: C16H22N2O3S

MW: 322.4

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	322.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	322.13511374
Monoisotopic Mass	322.13511374
Topological Polar Surface Area	79.7 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	396
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