AG00I5B2

282526-98-1 | 4H-3,1-Benzoxazin-4-one, 2-(hexadecyloxy)-6-methyl-

AG00I5B2

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CAS Number	282526-98-1
Catalog Number	AG00I5B2(AGN-PC-0MW8IX)
Chemical Name	4H-3,1-Benzoxazin-4-one, 2-(hexadecyloxy)-6-methyl-
IUPAC Name	2-hexadecoxy-6-methyl-3,1-benzoxazin-4-one
InChI	InChI=1S/C25H39NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-28-25-26-23-18-17-21(2)20-22(23)24(27)29-25/h17-18,20H,3-16,19H2,1-2H3
InChI Key	MVCQKIKWYUURMU-UHFFFAOYSA-N
MDL Number	MFCD09839697
Molecular Formula	C25H39NO3
Molecular Weight	401.5821
SMILES	O=C1OC(OCCCCCCCCCCCCCCCC)=NC2=CC=C(C)C=C12
UNII	LC5G1JUA39
Synonyms	2-(hexadecyloxy)-6-methyl-4H-3,1-benzoxazin-4-one, ATL-962, cetilistat, Cetilistat, 282526-98-1, Citilistat, ATL-962, ATL 962, UNII-LC5G1JUA39, 2-(Hexadecyloxy)-6-methyl-4H-3,1-benzoxazin-4-one, 2-Hexadecyloxy-6-methyl-4H-3,1-benzoxazin-4-one, LC5G1JUA39, 4H-3,1-Benzoxazin-4-one, 2-(hexadecyloxy)-6-methyl-, 2-hexadecoxy-6-methyl-3,1-benzoxazin-4-one, C25H39NO3, Cametor, ATL962, Cetilistat (JAN/USAN/INN), Cetilistat [USAN:INN:BAN:JAN], Cetilistat, Oblean, Oblean (TN), SCHEMBL367612, CHEMBL2103825, AOB5077, DTXSID90182506, EX-A983, CHEBI:134721, MVCQKIKWYUURMU-UHFFFAOYSA-N, ACT02675, BCP07371, AC-219, CH-389, MFCD09839697, ZINC14128264, AKOS015915375, API0002040, CS-5623, KS-1251, RL02959, SB17399, ATL-962;ATL962;ATL 962, AK546645, AN-16017, BC226956, HY-14471, SC-21899, AB0020686, FT-0657021, V1663, D09208, 526C981, A819389, I14-6098, 4H-3,1-Benzoxazin-4-one,2-(hexadecyloxy)-6-methyl-, 2-(hexadecyloxy)-6-methyl-4H-benzo[d][1,3]oxazin-4-one, oblean, Cetilistat [INN], D04NRB, ACN-048197, CID9952916, CS-O-01199, C2745, A15944, C520092, 2-(Hexadecycloxy)-6-methyl-4H-3,1-benzoxazin-4-one, 335149-24-1,

Complexity	477
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	401.293g/mol
Formal Charge	0
Heavy Atom Count	29
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	401.591g/mol
Monoisotopic Mass	401.293g/mol
Rotatable Bond Count	16
Topological Polar Surface Area	47.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	9.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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