VU0357017 hydrochloride

CAT: 0127-BUP09980-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP09980-01Size:5 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1135242-13-5

Synonyms

ML071 hydrochloride, CID-25010775, VU 0357017 hydrochloride

Purity

=98%

Smiles

Cl.CCOC(=O)N1CCC(CC1)NCCNC(=O)c1ccccc1C

Chemical Information

VU 0357017 Hydrochloride

CAS Number	1135242-13-5
PubChem CID	25010775
IUPAC Name	ethyl 4-[2-[(2-methylbenzoyl)amino]ethylamino]piperidine-1-carboxylate;hydrochloride
Molecular Formula	C18H28ClN3O3
Molecular Weight	369.9
Topological Polar Surface Area	70.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Heavy Atom Count	25
Formal Charge	0
Complexity	408

SMILES

CCOC(=O)N1CCC(CC1)NCCNC(=O)C2=CC=CC=C2C.Cl

InChI

InChI=1S/C18H27N3O3.ClH/c1-3-24-18(23)21-12-8-15(9-13-21)19-10-11-20-17(22)16-7-5-4-6-14(16)2;/h4-7,15,19H,3,8-13H2,1-2H3,(H,20,22);1H

InChIKey

XKJQVUIXSBOCPP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1135242-13-5

CID: 25010775

Formula: C18H28ClN3O3

MW: 369.9

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	369.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	369.1819195
Monoisotopic Mass	369.1819195
Topological Polar Surface Area	70.7 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	408
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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