AG006ONB

99291-25-5 | (S)-3-(4-Phenylpiperazin-1-yl)propane-1,2-diol

AG006ONB

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CAS Number	99291-25-5
Catalog Number	AG006ONB(AGN-PC-0OP3OX)
Chemical Name	(S)-3-(4-Phenylpiperazin-1-yl)propane-1,2-diol
IUPAC Name	(2S)-3-(4-phenylpiperazin-1-yl)propane-1,2-diol
InChI	InChI=1S/C13H20N2O2/c16-11-13(17)10-14-6-8-15(9-7-14)12-4-2-1-3-5-12/h1-5,13,16-17H,6-11H2/t13-/m0/s1
InChI Key	PTVWPYVOOKLBCG-ZDUSSCGKSA-N
MDL Number	MFCD00866852
Molecular Formula	C13H20N2O2
Molecular Weight	236.3101
SMILES	OC[C@@H](O)CN1CCN(C2=CC=CC=C2)CC1
UNII	3O31P6T4G3
Synonyms	DF 526, DF-526, dipropizine, dipropizine, (S)-isomer, Ditustat, dropropizine, levodropropizine, Levotuss, Tautoss, Zyplo, Levodropropizine, 99291-25-5, (S)-3-(4-Phenylpiperazin-1-yl)propane-1,2-diol, Levdropropizine, (-)-Dropropizine, Levotuss, Danka, Levodropropizina, Levodropropizinum, (2S)-3-(4-phenylpiperazin-1-yl)propane-1,2-diol, Rapitux, UNII-3O31P6T4G3, Levodropropizinum [INN-Latin], 99291-24-4, Levodropropizina [INN-Spanish], Levodropropizine [INN], (S)-(-)-Dropropizine, DF 526, CHEBI:82722, 3O31P6T4G3, S(-)-3-(4-Phenylpiperazin-1-yl)propane-1,2-diol, (-)-(S)-3-(4-Phenyl-1-piperazinyl)-1,2-propanediol, Levodropropizine (INN), 1,2-Propanediol, 3-(4-phenyl-1-piperazinyl)-, (2S)-, 1,2-Propanediol, 3-(4-phenylpiperazin-1-yl)-, S(-)-, Levodropropizine [INN:BAN], Salvituss, DF-526, Levopront (TN), CAS-17692-31-8, PubChem21962, dipropizine, (S)-isomer, SCHEMBL29043, (s)-3-(4-phenyl-1-piperazinyl)-1,2-propanediol, AC1Q59G1, CHEMBL1288810, DTXSID8023210, CTK8B4502, KS-00001FCM, Levodropropizine (S-Dropropizine), PTVWPYVOOKLBCG-ZDUSSCGKSA-N, AC1L2448, HY-B1895, 6957AC, ANW-45343, BBL036696, MFCD00866852, s4131, ZINC19594545, AKOS015889397, AC-2084, AC-8088, AN-8378, BCP9000850, CS-5212, DB12472, VA11171, NCGC00016730-01, NCGC00018230-01, NCGC00018230-06, AJ-73966, AS-12822, BCP0726000048, AB0012465, LS-120712, TC-134088, FT-0631001, FT-0659794, ST24020827, ST24035434, D08119, 291L244, A845991, AO-022/43512153, (2S)-3-(4-phenyl-1-piperazinyl)propane-1,2-diol, I14-7625, Q-100916, BRD-K83551379-001-02-6, S-(-)-3-(4-Phenylpiperazin-1-yl)propane-1,2-diol, UNII-U0K8WHL37U component PTVWPYVOOKLBCG-ZDUSSCGKSA-N, dropropizine, (+)-Dropropizine, D0X5WJ, C13H20N2O2, CID65859, C13-H20-N2-O2, CS-O-01749, B1550, B1737, (R)-3-(4-Phenylpiperazin-1-yl)propane-1,2-diol, 3-(4-Phenyl-1-piperazinyl)-1,2-propanediol, 1,2-Propanediol,3-(4-phenyl-1-piperazinyl)-,(2S)-, 17692-31-8,

Complexity	212
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	236.152g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	236.315g/mol
Monoisotopic Mass	236.152g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	46.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P301+P312+P330
UN Code

Certificate of Analysis

Lot Number