AG001WS5

166518-60-1 | Sulfamic acid, N-[2-[2,4,6-tris(1-methylethyl)phenyl]acetyl]-, 2,6-bis(1-methylethyl)phenyl ester

AG001WS5

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CAS Number	166518-60-1
Catalog Number	AG001WS5(AGN-PC-0Q8X4Z)
Chemical Name	Sulfamic acid, N-[2-[2,4,6-tris(1-methylethyl)phenyl]acetyl]-, 2,6-bis(1-methylethyl)phenyl ester
IUPAC Name	[2,6-di(propan-2-yl)phenyl] N-[2-[2,4,6-tri(propan-2-yl)phenyl]acetyl]sulfamate
InChI	InChI=1S/C29H43NO4S/c1-17(2)22-14-25(20(7)8)27(26(15-22)21(9)10)16-28(31)30-35(32,33)34-29-23(18(3)4)12-11-13-24(29)19(5)6/h11-15,17-21H,16H2,1-10H3,(H,30,31)
InChI Key	PTQXTEKSNBVPQJ-UHFFFAOYSA-N
MDL Number	MFCD00934956
Molecular Formula	C29H43NO4S
Molecular Weight	501.7210
SMILES	O=C(NS(=O)(OC1=C(C(C)C)C=CC=C1C(C)C)=O)CC2=C(C(C)C)C=C(C(C)C)C=C2C(C)C
UNII	28LQ20T5RC
Synonyms	2,6-bis(1-methylethyl)phenyl ((2,4,6-tris(1-methylethyl)phenyl)acetyl)sulfamate, avasimibe, avasimibe sodium, CI 1011, CI-1011, Avasimibe, 166518-60-1, CI-1011, Avasimibe(CI-1011), UNII-28LQ20T5RC, CI 1011, Avasimibe (CI-1011), PD 148515, 28LQ20T5RC, CHEMBL101309, 2,6-Diisopropylphenyl (2-(2,4,6-triisopropylphenyl)acetyl)sulfamate, MFCD00934956, 2,6-Diisopropylphenyl ((2,4,6-triisopropylphenyl)acetyl)sulfamate, 2,6-diisopropylphenyl 2-(2,4,6-triisopropylphenyl)acetylsulfamate, 2,6-Diisopropylphenyl (2-(2,4,6-triisopropylphenyl)-acetyl)sulfamate, ((2,4,6-Tris(1-methylethyl)phenyl)acetyl)sulfamic acid 2,6-bis(1-methylethyl)phenyl ester, [2,6-di(propan-2-yl)phenyl] N-[2-[2,4,6-tri(propan-2-yl)phenyl]acetyl]sulfamate, N-((2,6-Bis(1-methylethyl)phenoxy)sulfonyl)-2,4,6-tris(1-methylethyl)benzeneacetamide, N-[(2,6-DIISOPROPYLPHENOXY)SULFONYL]-2-(2,4,6-TRIISOPROPYLPHENYL)ACETAMIDE, Benzeneacetamide, N-((2,6-bis(1-methylethyl)phenoxy)sulfonyl)-2,4,6-tris(1-methylethyl)-, N-((2,6-Bis(1-methylethyl)phenoxy)sulfonyl)-2,4,6-tris(1-methylethyl)-benzeneacetamide, [[2,4,6-tris(1-methylethyl)phenyl]acetyl]-, 2,6-bis(1-methylethyl)phenyl ester] sulfamic acid, SMR002530075, Avasimibe [USAN], Avasimibe [USAN:INN], C29H43NO4S, PubChem22420, Avasimibe,CI-1011, Avasimibe (USAN/INN), AC1Q6XWY, Avasimibe - CI-1011, Avasimibe(CI-1011)/, AC1L4YB3, BIDD:PXR0029, SCHEMBL15876, MLS006010422, MLS006010991, Avasimibe, >=98% (HPLC), DTXSID80168117, HMS3655H08, 2,6-diisopropylphenyl[(2,4,6-triisopropylphenyl)acetyl]sulfamate, BCP02302, EX-A2230, ZINC1540245, ABP000706, AN-534, BDBM50069900, CI1011, s2187, AKOS015913985, BCP9000344, CS-5695, QC-2165, RL02140, SB19572, NCGC00346572-01, NCGC00346572-02, 4CA-0211, AJ-26841, AK-60856, Avasimibe; CI-1011; PD-148515, BC660121, HY-13215, LS-28486, AB0020966, Avasimibe;CI-1011;166518-60-1, PD-148515, FT-0737704, SW219628-1, V2056, D03012, S-7709, 518A601, SR-01000944953, J-523295, SR-01000944953-1, I14-44764, (2,6-diisopropylphenyl) N-[2-(2,4,6-triisopropylphenyl)acetyl]sulfamate, ((2,4,6-tris(1-methylethyl)phenyl)acetyl)sulfamicacid2,6-bis(1-methylethyl)phenylester, [2-(2,4,6-Triisopropyl-phenyl)-acetyl]-sulfamic acid 2,6-diisopropyl-phenyl ester, 1-[(2,6-diisopropylphenoxysulfonyl)amino]-2-(2,4,6-triisopropylphenyl)ethanone, CI-1011; PD 148515; [[2,4,6-tris(1-methylethyl)phenyl]acetyl]-, 2,6-bis(1-methylethyl)phenyl ester] sulfamic acid, N-[2-[2,4,6-tris(1-methylethyl)phenyl]acetyl]-, 2,6-bis(1-methylethyl)phenyl ester sulfamic acid, Sulfamic acid, N-[2-[2,4,6-tris(1-methylethyl)phenyl]acetyl]-, 2,6-bis(1-methylethyl)phenyl ester, Avasimibe sodium, D0O1KX, C29-H43-N-O4-S, AR-1D4919, CC-104, CID166558, RW3061, A4318, A10102, C423185, 2,6-diisopropylphenyl[(2,4,6-triisopropylphenyl)acet-yl]-sulfamate, 2,6-bis(1-methylethyl)phenyl ((2,4,6-tris(1-methylethyl)phenyl)acetyl)sulfamate, N-(2,6-DIPROPAN-2-YLPHENOXY)SULFONYL-2-(2,4,6-TRIPROPAN-2-YLPHENYL)ACETAMIDE, 20194-70-1, N-[2-[2,4,6-Tris(1-methylethyl)phenyl]acetyl]sulfamic acid 2,6-bis(1-methylethyl)phenyl ester,

Complexity	734
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	501.291g/mol
Formal Charge	0
Heavy Atom Count	35
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	501.726g/mol
Monoisotopic Mass	501.291g/mol
Rotatable Bond Count	10
Topological Polar Surface Area	80.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	8.2

GHS Hazard and Precautionary Statements

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

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