AG003BH7

187324-63-6 | N-Benzyl-N-((1R,2S)-1-hydroxy-1-phenylpropan-2-yl)-2,4,6-trimethylbenzenesulfonamide

AG003BH7

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CAS Number	187324-63-6
Catalog Number	AG003BH7(AGN-PC-0QGFFM)
Chemical Name	N-Benzyl-N-((1R,2S)-1-hydroxy-1-phenylpropan-2-yl)-2,4,6-trimethylbenzenesulfonamide
IUPAC Name	N-benzyl-N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-2,4,6-trimethylbenzenesulfonamide
InChI	InChI=1S/C25H29NO3S/c1-18-15-19(2)25(20(3)16-18)30(28,29)26(17-22-11-7-5-8-12-22)21(4)24(27)23-13-9-6-10-14-23/h5-16,21,24,27H,17H2,1-4H3/t21-,24-/m0/s1
InChI Key	ZPERKXJNXPLVAC-URXFXBBRSA-N
MDL Number	MFCD02093446
Molecular Formula	C25H29NO3S
Molecular Weight	423.5677
SMILES	C[C@H](N(CC1=CC=CC=C1)S(=O)(C(C(C)=CC(C)=C2)=C2C)=O)[C@@H](C3=CC=CC=C3)O
Synonyms	187324-63-6, (1R,2S)-2-[N-Benzyl-N-(mesitylenesulfonyl)amino]-1-phenyl-1-propanol, N-Benzyl-N-((1R,2S)-1-hydroxy-1-phenylpropan-2-yl)-2,4,6-trimethylbenzenesulfonamide, Benzenesulfonamide,N-[(1S,2R)-2-hydroxy-1-methyl-2-phenylethyl]-2,4,6-trimethyl-N-(phenylmethyl)-, PubChem11694, CTK4D9502, DTXSID80457452, ZINC2576954, ANW-23333, MFCD02093446, AKOS015839234, RTR-008660, VC30621, AK305768, CC-00242, AB1011184, DB-044637, FT-0604009, KS-00001452, C-22119, J-012055, (1R,2S)-N-Benzyl-N-(mesitylenesulfonyl)norephedrine, (1R,2S)-1-Phenyl-2-[benzyl(mesitylsulfonyl)amino]-1-propanol, (1R,2S)-2-[N-Benzyl-N-(2,4,6-trimethylbenzenesulfonyl)amino]-1-phenyl-1-propanol, N-Benzyl-N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-2,4,6-trimethylbenzene-1-sulfonamide, (1R,2S)-2-[N-Benzyl-N-(2,4,6-trimethylbenzenesulfonyl)amino]-1-phenyl-1-propanol;(1R,2S)-N-Benzyl-N-(mesitylenesulfonyl)norephedrine, ZPERKXJNXPLVAC-URXFXBBRSA-N, CB10733, CID11166154, B2103, (1S,2R)-2-[N-Benzyl-N-(mesitylenesulfonyl)amino]-1-phenyl-1-propanol, (1S,2R)-2-[N-Benzyl-N-(2,4,6-trimethylbenzenesulfonyl)amino]-1-phenyl-1-propanol, N-benzyl-N-[(1S,2S)-1-hydroxy-1-phenyl-propan-2-yl]-2,4,6-trimethyl-benzenesulfonamide, (1R, 2S)-2-(N-Benzyl-N-mesitylsulfonamido)-1-phenylpropan-1-ol; L-(-)-N-Benzyl-N-Mesitylnorephedrine, 187324-64-7,

Complexity	607
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	423.187g/mol
Formal Charge	0
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	423.571g/mol
Monoisotopic Mass	423.187g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	66A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.9

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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