AG00ABOM

170151-24-3 | (S)-5-(Aminomethyl)-1-(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1h-imidazole-2(3h)-thione hydrochloride

AG00ABOM

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CAS Number	170151-24-3
Catalog Number	AG00ABOM(AGN-PC-0Q9MWV)
Chemical Name	(S)-5-(Aminomethyl)-1-(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1h-imidazole-2(3h)-thione hydrochloride
IUPAC Name	4-(aminomethyl)-3-[(2S)-5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-imidazole-2-thione;hydrochloride
InChI	InChI=1S/C14H15F2N3S.ClH/c15-9-3-8-4-10(1-2-12(8)13(16)5-9)19-11(6-17)7-18-14(19)20;/h3,5,7,10H,1-2,4,6,17H2,(H,18,20);1H/t10-;/m0./s1
InChI Key	DIPDUAJWNBEVOY-PPHPATTJSA-N
MDL Number	MFCD00954638
Molecular Formula	C14H16ClF2N3S
Molecular Weight	331.8117
SMILES	S=C1NC=C(CN)N1[C@@H]2CC3=C(C(F)=CC(F)=C3)CC2.[H]Cl
UNII	3WK068D17I
Synonyms	5-aminomethyl-1-(5,7-difluoro-1,2,3,4-tetrahydronaphth-2-yl)-1,3-dihydroimidazole-2-thione, nepicastat, RS 25560-197, RS-25560-197, 170151-24-3, Nepicastat hydrochloride, Nepicastat HCl, Nepicastat (SYN-117) HCl, (S)-5-(aminomethyl)-1-(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1H-imidazole-2(3H)-thione hydrochloride, SYN117, Nepicastat hydrochloride anhydrous, Nepicastat (hydrochloride), UNII-3WK068D17I, 3WK068D17I, RS-25560-197, SYN-117, (S)-5-(AMINOMETHYL)-1-(5,7-DIFLUORO-1,2,3,4-TETRAHYDRONAPHTHALEN-2-YL)-1H-IMIDAZOLE-2(3H)-THIONE HCL, AK105009, nepicastat-hydrochloride, SYN-117 hydrochloride, Nepicastat hydrochloride, Nepicastat(hydrochloride), C14H16ClF2N3S, MLS006011142, Nepicastat HCl (SYN-117), CHEMBL536282, SCHEMBL1230129, SCHEMBL3418494, CTK8C3907, DTXSID00168811, RS-25560-197 hydrochloride, DIPDUAJWNBEVOY-PPHPATTJSA-N, BCP06517, EX-A2109, ANW-70790, HY-13289A, MFCD00954638, AKOS016007825, CS-3559, SB16493, KS-00001D59, AC-28400, BC600517, SMR004702919, Nepicastat hydrochloride, >=95% (HPLC), AX8239217, TC-159535, S2695, X7610, Nepicastat hydrochloride; SYN-117 hydrochloride, J-010601, SYN117, 170151-24-3, (S)-1-(5,7-Difluoro-1,2,3,4-tetrahydronaphth-2-yl)-5-aminomethyl-2,3-dihydro-2-thioxo-1H-imidazole hydrochloride, (S)-5-(aminomethyl)-1-(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-dihydro-2H-imidazole-2-thione hydrochloride, (S)-5-aminomethyl-1-(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-dihydroimidazole-2-thione hydrochloride, 5-(Aminomethyl)-1-[(2S)-5,7-difluoro-1,2,3,4-tetrahydro-2-naphthalenyl]-1,3-dihydro-2H-imidazole-2-thione hydrochloride, Nepicastat oral, D0N5YD, ACN-043416, CID9840545, CID 9840545, 2H-Imidazole-2-thione, 5-(aminomethyl)-1-[(2S)-5,7-difluoro-1,2,3,4-tetrahydro-2-naphthalenyl]-1,3-dihydro-, hydrochloride, 4-(aminomethyl)-3-[(2S)-5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-imidazole-2-thione hydrochloride,

Complexity	429
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	331.072g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	331.81g/mol
Monoisotopic Mass	331.072g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	73.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number