AG000MWB

124937-51-5 | 2-[(1R)-3-[bis(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenol

AG000MWB

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CAS Number	124937-51-5
Catalog Number	AG000MWB(AGN-PC-0O0PU2)
Chemical Name	2-[(1R)-3-[bis(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenol
IUPAC Name	2-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenol
InChI	InChI=1S/C22H31NO/c1-16(2)23(17(3)4)14-13-20(19-9-7-6-8-10-19)21-15-18(5)11-12-22(21)24/h6-12,15-17,20,24H,13-14H2,1-5H3/t20-/m1/s1
InChI Key	OOGJQPCLVADCPB-HXUWFJFHSA-N
MDL Number	MFCD00865264
Molecular Formula	C22H31NO
Molecular Weight	325.4876
SMILES	CC(C)N(C(C)C)CC[C@H](C1=CC=CC=C1)C2=C(O)C=CC(C)=C2
UNII	WHE7A56U7K
Synonyms	Detrol, Detrol LA, Detrusitol, PHA 686464B, PHA-686464B, PHA686464B, Tartrate, Tolterodine, tolterodine, tolterodine tartrate, Unidet, Urotrol, tolterodine, 124937-51-5, (+)-Tolterodine, Tolterodina, Tolterodinum, Detrusitol, (R)-(+)-Tolterodine, Tolterodine tartrate, Urotrol, Detrol, S-(-)-Tolterodine, Kabi 2234, UNII-WHE7A56U7K, Kabi-2234, PNU 200583, CHEMBL1382, WHE7A56U7K, CHEBI:9622, 2-[(1R)-3-(diisopropylamino)-1-phenylpropyl]-4-methylphenol, (+)-(R)-2-(alpha-(2-(Diisopropylamino)ethyl)benzyl)-p-cresol, NCGC00159519-02, Unidet, DSSTox_CID_3687, DSSTox_RID_77147, DSSTox_GSID_23687, Tolterodine L-Tartrate, Q-200223, (r)-2-(3-(diisopropylamino)-1-phenylpropyl)-4-methylphenol, 2-[(1R)-3-[Bis(1-methylethyl)amino]-1-phenylpropyl]-4-methylphenol, 2-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenol, 2-{(1R)-3-[bis(1-methylethyl)amino]-1-phenylpropyl}-4-methylphenol, Tolterondine Tartrate, (R)-Tolterodine, 2-[3-[Bis(1-Methylethyl)Amino]-1-Phenylpropyl]-4-Methyl Phenol Monohydrobromide, SMR000596518, CAS-124937-51-5, MFCD07771985, PHA-686464B, tolterodin, (R)-2-[3-(diisopropylamino)-1-phenylpropyl]-4-methylphenol, s-tolterodine, Tolterodine [USAN:INN:BAN], 2-[(1R)-3-(di(propan-2-yl)amino)-1-phenylpropyl]-4-methylphenol, tolterodine extended release capsules, (R)-2,3-BIS(1-METHYLETHYL)AMINO-1-PHENYLPROPYL-4-METHYLPHENOL, Phenol, 2-((1R)-3-(bis(1-methylethyl)amino)-1-phenylpropyl)-4-methyl-, Phenol, 2-[(1R)-3-[bis(1-methylethyl)amino]-1-phenylpropyl]-4-methyl-, 124937-53-7, PubChem20792, AC1L9FDR, 124937-52-6, Tolterodine (USAN/INN), SCHEMBL3064, GTPL360, MLS001195620, MLS001304745, BIDD:GT0318, Jsp001637, DTXSID3023687, OOGJQPCLVADCPB-HXUWFJFHSA-N, HMS2230E24, ZINC968336, ACT04387, HY-A0024, Tox21_111737, BDBM50165008, AKOS015841711, AKOS015895578, Tox21_111737_1, AC-3472, API0004447, CS-1799, DB01036, KS-5165, NCGC00263557-01, (R)-(+)-N,N-Diisopropyl-3-(2-hydroxy-5-methylphenyl)-3-phenylpropylamine, AJ-24600, SC-18999, LS-187278, RT-015598, FT-0082150, FT-0082998, FT-0602571, FT-0675276, C07750, D00646, 27817-EP2269989A1, 27817-EP2298767A1, 27817-EP2314587A1, AB00698547-12, AB00698547_13, 937T515, J-005184, 2-[(1R)-3-[bis(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenol, (+)-(R)-3-(2-hydroxy-5-methylphenyl)-N,N-diisopropyl-3-phenylpropylamine, 2-[(1R)-3-[BIS(1-METHYLETHYL)AMINO]-1-PHENYLPROPYL]-4-METHYL-PHENOL TARTRATE, Detrol LA, Tolterodine [INN], Detrusitol (TN), Detrol (TN), Tartrate, Tolterodine, Tolterodinum [INN-Latin], R-(+)-Tolterodine, Tolterodina [INN-Spanish], D0BZ7W, PHA686464B, C22-H31-N-O, PHA 686464B, PNU-200583E, CID443879, 1681B, B1033, 2-[3-[Bis(1-methylethyl)amino]-1-phenylpropyl]-4-methylphenol, C099041, D000068737, (+)-(R)-2-[alpha-[2-(diisopropylamino)ethyl]benzyl]-p-cresol, 124936-74-9, 2-[3-[Bis(1-methylethyl)amino]-1-phenylpropyl]-4-methylphenol monohydrobromide, 75-25-2,

Complexity	340
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	325.241g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	325.496g/mol
Monoisotopic Mass	325.241g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	23.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

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