AG0032CI

42399-49-5 | (2S,3S)-2,3-Dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one

AG0032CI

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CAS Number	42399-49-5
Catalog Number	AG0032CI(AGN-PC-0WAKYM)
Chemical Name	(2S,3S)-2,3-Dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one
EC Number	255-799-0
IUPAC Name	(2S,3S)-3-hydroxy-2-(4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one
InChI	InChI=1S/C16H15NO3S/c1-20-11-8-6-10(7-9-11)15-14(18)16(19)17-12-4-2-3-5-13(12)21-15/h2-9,14-15,18H,1H3,(H,17,19)/t14-,15+/m1/s1
InChI Key	LHBHZALHFIQJGJ-CABCVRRESA-N
MDL Number	MFCD01321316
Molecular Formula	C16H15NO3S
Molecular Weight	301.3602
SMILES	O[C@@H]1[C@@H](SC2=C(NC1=O)C=CC=C2)C2=CC=C(C=C2)OC
UNII	6RN4N3305M
Synonyms	42399-49-5, (2S-cis)-(+)-2,3-Dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one, (2S,3S)-(+)-2,3-Dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one, UNII-6RN4N3305M, (2S,3s)-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5h)-one, 6RN4N3305M, 27068-88-8, (2S,3S)-2,3-Dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one, (2S,3S)-3-hydroxy-2-(4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one, (2S-cis)-2,3-Dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one, 3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one, azepin-4-one, EINECS 255-799-0, Diltiazem Impurity E, AC1MBZFC, (2S,3S)-3-Hydroxy-2-(4-methoxy-phen, EC 255-799-0, DSSTox_CID_31533, DSSTox_RID_97418, DSSTox_GSID_57744, MLS001180963, (2S,3S)-DHMB, SCHEMBL5020108, CHEMBL1872519, DTXSID6057744, CTK4F9042, LHBHZALHFIQJGJ-CABCVRRESA-N, HMS2791C04, ZINC403210, Tox21_113796, ANW-29805, MFCD01321316, AKOS015855558, AKOS015895094, AC-8056, AN-8410, MCULE-4163342760, 1,5-Benzothiazepin-4(5H)-one, 2,3-dihydro-3-hydroxy-2-(4-methoxyphenyl)-, (2S-cis)-, 3-Hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one, (2S,3S)-, NCGC00253672-01, AS-15328, O885, SMR000475704, ST094902, yl)-2,3-dihydro-5H-benzo[b][1,4]thi, CAS-42399-49-5, DB-027153, TR-016612, D3661, FT-0653154, FT-0774269, 399C495, AC-509/25001342, Des[3-Acetyl-5-(2-dimethylamino)ethyl] Diltiazem, BRD-K83382329-001-06-8, 1,5-Benzothiazepin-4(5H)-one,2,3-dihydro-3-hydroxy-2-(4-methoxyphenyl)-, (+)-(2S,3S)-2,3-dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one, (+)-cis-2-(4-methoxyphenyl)-3-hydroxy-2,3-dihydro-1,5-benzothiazepin-4(5H)-one, (2s,3s)-2,3-dihydro-3-hydroxy-2-(4-methoxyphenyl)-1 ,5-benzothiazepin-4(5h)-one, (2S,3S)-2,3-dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepine-4(5H)-one, (2S,3S)-2.3-Dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-on, (2S,3S)-3-hydroxy-2-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one, (2S,3S)-3-hydroxy-2-(4-methoxyphenyl)-2H,3H-benzo[b]1,4-thiazaperhydroepin-4-o ne, cis(+)-2,3-dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one, cis-(+)-2-(4'-methoxyphenyl)-3-hydroxy-2,3-dihydro-1,5-benzothiazepine-4(5H)-one, cis-(+)-2-(4-methoxyphenyl)-3-hydroxy-2,3-dihydro-1,5-benzothiazepine-4(5H)-one, cis-2-(4-methoxyphenyl)-2,3-dihydro-3-hydroxy -1,5-benzothiazepin-4(5H)-one, cis-2-(4-methoxyphenyl)-2,3-dihydro-3-hydroxy-1,5-benzothiazepin-4(5H)-one, (2S-cis)-(+)-2,3-Dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one, 98%, Cis( )Hydroxy Lactam PORPOR, C16H15NO3S, C16-H15-N-O3-S, ZINC00403210, CID2733673, AC-18737, (2S,3S)-3-Hydroxy-2-(4-methoxyphenyl)-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one, (2S-cis)-2,3-Dihydro-3-hydroxy-2-(4-methoxyphenyl), - -2,3-Dihydro-3-hydroxy-2- -1,5-benzothiazepin-4 -one, -3-HYDROXY-2- -2,3-DIHYDRO-5H-BENZO[B][1,4]THIAZEPIN-4-ONE, (2S,3S)-(+)-2,3-Dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-be nzothiazepin-4(5H)-one,

Complexity	371
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	301.077g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	301.36g/mol
Monoisotopic Mass	301.077g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	83.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

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

Lot Number