AG001T2D

162401-32-3 | Benzamide, 3-(cyclopropylmethoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-

AG001T2D

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CAS Number	162401-32-3
Catalog Number	AG001T2D(AGN-PC-0Q880B)
Chemical Name	Benzamide, 3-(cyclopropylmethoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-
IUPAC Name	3-(cyclopropylmethoxy)-N-(3,5-dichloropyridin-4-yl)-4-(difluoromethoxy)benzamide
InChI	InChI=1S/C17H14Cl2F2N2O3/c18-11-6-22-7-12(19)15(11)23-16(24)10-3-4-13(26-17(20)21)14(5-10)25-8-9-1-2-9/h3-7,9,17H,1-2,8H2,(H,22,23,24)
InChI Key	MNDBXUUTURYVHR-UHFFFAOYSA-N
MDL Number	MFCD00938270
Molecular Formula	C17H14Cl2F2N2O3
Molecular Weight	403.2075
SMILES	O=C(NC1=C(Cl)C=NC=C1Cl)C2=CC=C(OC(F)F)C(OCC3CC3)=C2
UNII	0P6C6ZOP5U
Synonyms	3-cyclopropylmethoxy-4-difluoromethoxy-N-(3,5-di-chloropyrid-4-yl)benzamide, daliresp, roflumilast, Roflumilast, 162401-32-3, DAXAS, Daliresp, 3-(CYCLOPROPYLMETHOXY)-N-(3,5-DICHLOROPYRIDIN-4-YL)-4-(DIFLUOROMETHOXY)BENZAMIDE, BY217, BYK20869, UNII-0P6C6ZOP5U, B9302-107, BY 217, BY-217, Roflumilast (Daxas), 0P6C6ZOP5U, 3-(Cyclopropylmethoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide, Benzamide, 3-(cyclopropylmethoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-, CHEMBL193240, CHEBI:47657, BYK 20869, BYK-20869, B 9302-107, ROF, AK110425, Libertek, 3-Cyclopropylmethoxy-N-(3,5-dichloropyridin-4-yl)-4-(difluoromethoxy)benzamide, Roflumilast [USAN], Roflumilast [USAN:INN], roflumilastum, C17H14Cl2F2N2O3, Roflumilast (JAN/USAN/INN), Roflumilast;, APTA-2217, 1xmu, 1xoq, Daliresp (TN), 3g4l, AC1L9MU7, SCHEMBL19158, cc-305, MLS006010074, BEN530, GTPL6962, DTXSID8044123, APTA 2217, BDBM14774, CTK8E9183, Roflumilast, >=98% (HPLC), EX-A059, MNDBXUUTURYVHR-UHFFFAOYSA-N, HMS3655P21, ZINC592419, ACT02619, BCP03736, EBD15341, AN-552, CR0025, FC0016, MFCD00938270, s2131, AKOS005146309, AM84550, API0004090, CS-0963, DB01656, PB29130, QC-1593, RL02084, NCGC00346566-01, AC-23383, AJ-23633, AS-14120, HY-15455, LS-26272, SMR002530074, ZB014504, ACM1189992004, BCP0726000146, AB0031354, AB1008459, AX8150494, RT-015436, FT-0660846, R0193, ST24049127, SW220196-1, X4421, KS-00000792, A10804, A24672, D05744, Q-4353, AB01565852_02, 401R323, J-510858, BRD-K03194791-001-02-2, I14-15194, 3-CyclopropylMethoxy-N-(3,5-dichloro-pyridin-4-yl)-4-isopropoxy-benzaMide, 3-(cyclopropylmethoxy)-N-(3,5-dichloro-4-pyridyl)-4-(difluoromethoxy)benzamide, Benzamide, 3-(cyclopropylmethoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-, n-(3,5-dichloropyridin-4-yl)-4-difluoromethoxy-3-cyclopropylmethoxybenzamide, RoflumilastDaxas, Roflumilast-d3, Alogliptin/roflumilast, 2-Methoxycinnamic acid, D07GBA, D0R4UW, 4-(difluoromethoxy)benzamide, CID449193, ACN-036660, CS-O-11739, C17-H14-Cl2-F2-N2-O3, A4319, C424423, 3-cyclopropylmethoxy-4-difluoromethoxy-N-(3,5-di-chloropyrid-4-yl)benzamide, 1189992-00-4,

Complexity	475
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	402.035g/mol
Formal Charge	0
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	403.207g/mol
Monoisotopic Mass	402.035g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	60.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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