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AG009JU4

Name: MDL 201012
Brand: Angene Chemical
SKU: AG009JU4

136722-45-7 | MDL 201012

Chemical structure of MDL 201012, CAS 136722-45-7

AG009JU4

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CAS Number	136722-45-7
Catalog Number	AG009JU4
Chemical Name	MDL 201012
IUPAC Name	1-cyclobutyl-7-(dimethylamino)-1-hydroxy-1-phenylhept-5-yn-2-one
InChI	InChI=1S/C19H25NO2/c1-20(2)15-8-4-7-14-18(21)19(22,17-12-9-13-17)16-10-5-3-6-11-16/h3,5-6,10-11,17,22H,7,9,12-15H2,1-2H3
InChI Key	BCOZTAXOTDBLEA-UHFFFAOYSA-N
MDL Number	MFCD19708019
Molecular Formula	C19H25NO2
Molecular Weight	299.4073
SMILES	CN(C)CC#CCCC(=O)C(C1CCC1)(C2=CC=CC=C2)O
Synonyms	1-cyclobutyl-1-hydroxy-1-phenyl-7-(N,N-dimethylamino)hept-5-yn-2-one, 1-cyclobutyl-7-(dimethylamino)-1-hydroxy-1-phenyl-5-heptyn-2-one, 1-cyclobutyl-7-(dimethylamino)-1-hydroxy-1-phenyl-5-heptyn-2-one hydrochloride, (+), CDHO, MDL 201012, MDL-201,012, 136722-55-9, Mdl 201012, 1-cyclobutyl-7-(dimethylamino)-1-hydroxy-1-phenylhept-5-yn-2-one, 136722-45-7, 5-Heptyn-2-one,1-cyclobutyl-7-(dimethylamino)-1-hydroxy-1-phenyl-, hydrochloride, (-)- (9CI), BCOZTAXOTDBLEA-UHFFFAOYSA-N, ACMC-20mw9y, MDL-201012 free base, AC1L306H, CHEMBL105070, SCHEMBL7650415, CTK4C0432, NCGC00386610-01, 1-cyclobutyl-1-hydroxy-1-phenyl-7-dimethylaminohept-5-yn-2-one, 7-Dimethylamino-1-cyclobutyl-1-hydroxy-1-(phenyl)-5-heptyn-2-one, 5-Heptyn-2-one, 1-cyclobutyl-7-(dimethylamino)-1-hydroxy-1-phenyl-, (+/-)-, CDHO, UNII-8UR0ZWJ83I, 8UR0ZWJ83I, C19-H25-N-O2.Cl-H, CID131987, 1-cyclobutyl-7- -1-hydroxy-1-phenyl-5-heptyn-2-one, 1-Cyclobutyl-7-(dimethylamino)-1-hydroxy-1-phenyl-5-heptyn-2-one, 1-cyclobutyl-7-dimethylamino-1-hydroxy-1-phenyl-hept-5-yn-2-one, 1-Cyclobutyl-1-hydroxy-1-phenyl-7-(N,N-dimethylamino)hept-5-yn-2-one, (-)-1-Cyclobutyl-7-(dimethylamino)-1-hydroxy-1-phenyl-5-heptyn-2-one hydrochloride,

Complexity	435
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	299.189g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	299.414g/mol
Monoisotopic Mass	299.189g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	40.5A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.6

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Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

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Reviewed by:Jessie

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Angene International Limited