AG001AL8

139264-17-8 | 2-Oxazolidinone, 4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-, (4S)-

AG001AL8

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CAS Number	139264-17-8
Catalog Number	AG001AL8(AGN-PC-0PO4NM)
Chemical Name	2-Oxazolidinone, 4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-, (4S)-
IUPAC Name	(4S)-4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one
InChI	InChI=1S/C16H21N3O2/c1-19(2)6-5-12-9-17-15-4-3-11(8-14(12)15)7-13-10-21-16(20)18-13/h3-4,8-9,13,17H,5-7,10H2,1-2H3,(H,18,20)/t13-/m0/s1
InChI Key	ULSDMUVEXKOYBU-ZDUSSCGKSA-N
MDL Number	MFCD00871503
Molecular Formula	C16H21N3O2
Molecular Weight	287.3568
NSC Number	760383
SMILES	O=C1OC[C@H](CC2=CC3=C(NC=C3CCN(C)C)C=C2)N1
UNII	2FS66TH3YW
Synonyms	311C90, 4-((3-(2-(dimethylamino)ethyl)-1H-indol-5-yl)methyl)-2-oxazolidinone, AscoTop, Flezol, zolmitriptan, Zomig, Zomigoro, zolmitriptan, 139264-17-8, Zomig, Zomigoro, Zomigon, Flezol, 311C90, Zomig-ZMT, Zomig Nasal Spray, Zomig ZMT, zolmitriptanum, AscoTopand, UNII-2FS66TH3YW, (S)-4-[3-(2-Dimethylamino-ethyl)-1H-indol-5-ylmethyl]-oxazolidin-2-one, AscoTop, Zolmitriptan (Zomig), BW-311C90, 2FS66TH3YW, CHEMBL1185, 4-((3-(2-(Dimethylamino)ethyl)-1H-indol-5-yl)methyl)-2-oxazolidinone, CHEBI:10124, C16H21N3O2, (S)-4-((3-(2-(Dimethylamino)ethyl)indol-5-yl)methyl)-2-oxazolidinone, (S)-4-((3-(2-(Dimethylamino)ethyl)-1H-indol-5-yl)methyl)-2-oxazolidinone, MFCD00871503, (4S)-4-[[3-[2-(Dimethylamino)ethyl]-1H-indol-5-yl]methyl]-2-oxazolidinone, (S)-4-((3-(2-(dimethylamino)ethyl)-1H-indol-5-yl)methyl)oxazolidin-2-one, (S)-4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-2-oxazolidinone, (4S)-4-({3-[2-(dimethylamino)ethyl]-1H-indol-5-yl}methyl)-1,3-oxazolidin-2-one, (4S)-4-[[3-(2-dimethylaminoethyl)-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one, DSSTox_CID_25933, DSSTox_RID_81232, DSSTox_GSID_45933, Zolmitriptan [USAN], zipton, zolmitriptane, zominat, Rapimelt, (4S)-4-((3-(2-(DIMETHYLAMINO)ETHYL)-1H-INDOL-5-YL)METHYL)-2-OXAZOLIDINONE, 2-Oxazolidinone, 4-((3-(2-(dimethylamino)ethyl)-1H-indol-5-yl)methyl)-, (S)-, CPD000449310, SMR000449310, CAS-139264-17-8, Zomig (TN), Zolmitriptan RapidFilm, Zolmitriptan [USAN:INN:BAN], (4S)-4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one, NCGC00095155-01, AK-47834, Zolmitriptan(Zomig), KS-5072, Spectrum2_000728, GTPL60, AC1L1U2E, SCHEMBL33336, MLS000758208, MLS001424172, BIDD:GT0040, SPECTRUM1505281, SPBio_000656, Zolmitriptan (JAN/USAN/INN), DTXSID8045933, KS-00000HAJ, ZINC15515, Zolmitriptan, >=98% (HPLC), Zomig;Zomigon;AscoTopand;Zomigoro, ULSDMUVEXKOYBU-ZDUSSCGKSA-N, HMS1922B04, HMS2052K17, HMS2093O14, HMS2235I22, HMS3714H11, Pharmakon1600-01505281, ACT04392, BCP10513, HY-B0229, ZMT, Tox21_111455, 4-[[3-(2-dimethylaminoethyl)-1H-indol-5-yl]methyl]oxazolidin-2-one, BDBM50033383, CCG-38993, NSC760383, s1649, AKOS015850706, Tox21_111455_1, AB07628, AN-5272, AT-3239, CS-2179, DB00315, NC00382, NSC-760383, (S)-N,N-Dimethyl-2-[5-(2-oxo-1,3-oxazolidin-4-ylmethyl)-1H-indol-3-yl]ethylamine, NCGC00263884-02, NCGC00263884-03, NCGC00263884-08, BC206232, SAM001246841, SAM001247064, SC-17326, SBI-0206762.P001, AB2000194, LS-100559, ST2407794, B2261, FT-0631159, SW197762-2, 64Z178, A-2479, C07218, D00415, J10141, AB00698244-05, AB00698244_06, SR-05000001693, J-007257, SR-05000001693-1, Zolmitriptan, United States Pharmacopeia (USP) Reference Standard, (4S)-4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]oxazolidin-2-one, (S) -N,N-Dimethyl-2- [5- (2-oxo-1,3-oxazolidin-4-ylmethyl) -1H -indol-3-yl]ethylamine, (S)-4-({3-[2-(dimethylamino)ethyl]-1H-indol-5-yl}methyl)-1,3-oxazolidin-2-one, (S)-N,N-Dimethyl-2-[5-(2-oxo-1,3-oxazolidin-4-ylmethyl)-1H -indol-3-yl]ethylamine, 2-Oxazolidinone, 4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-, (4S)-, 139264-25-8, Zomigoro (TN), Zomigon (TN), AscoTop (TN), D0NG7O, CID60857, C16-H21-N3-O2, ACN-048280, CS-O-11772, Z0024, C089750, Zomig, Zomigon, AscoTopand, Zomigoro, Zolmitriptan, (4R)-4-[[3-(2-dimethylaminoethyl)-1H-indol-5-yl]methyl]oxazolidin-2-one, Zolmitriptan, 98%, a selective 5-HT1B/1D/1F receptor agonist - 1G 1g, TRZ,

Complexity	375
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	287.163g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	287.363g/mol
Monoisotopic Mass	287.163g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	57.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

Lot Number