Amineptine methyl ester

CAT: 0926-ZWB53711Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0926-ZWB53711Size:250 mg

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CAS Number

1174537-11-1

Smiles

COC (=O) CCCCCCNC1C2=CC=CC=C2CCC3=CC=CC=C13

Molecular Formula

C23H29NO2

Molecular Weight

351.5 g/mol

Controlled

Yes

Chemical Information

Amineptine Methyl Ester

CAS Number	1174537-11-1
PubChem CID	49874739
IUPAC Name	methyl 7-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)heptanoate
Molecular Formula	C23H29NO2
Molecular Weight	351.5
XLogP	4.7
Topological Polar Surface Area	38.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	9
Heavy Atom Count	26
Formal Charge	0
Complexity	400

SMILES

COC(=O)CCCCCCNC1C2=CC=CC=C2CCC3=CC=CC=C13

InChI

InChI=1S/C23H29NO2/c1-26-22(25)14-4-2-3-9-17-24-23-20-12-7-5-10-18(20)15-16-19-11-6-8-13-21(19)23/h5-8,10-13,23-24H,2-4,9,14-17H2,1H3

InChIKey

NOYASTFAKROJLU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1174537-11-1

CID: 49874739

Formula: C23H29NO2

MW: 351.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	351.5
XLogP3	4.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	9
Exact Mass	351.219829168
Monoisotopic Mass	351.219829168
Topological Polar Surface Area	38.3 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	400
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
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FS65452-01	Shanzhiside methyl ester
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Catalog	Name
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