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124936-74-9 | Phenol, 2-[3-[bis(1-methylethyl)amino]-1-phenylpropyl]-4-methyl-
CAS No: 124936-74-9 Catalog No: AG000MWD MDL No:MFCD00883971
Product Description
Catalog Number:
AG000MWD
Chemical Name:
Phenol, 2-[3-[bis(1-methylethyl)amino]-1-phenylpropyl]-4-methyl-
CAS Number:
124936-74-9
Molecular Formula:
C22H31NO
Molecular Weight:
325.4876
MDL Number:
MFCD00883971
IUPAC Name:
2-[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
InChI Key:
OOGJQPCLVADCPB-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)C(c1ccccc1)CCN(C(C)C)C(C)C)O
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
Literature
| Title | Journal |
|---|---|
| Tissue distribution of tolterodine, a muscarinic receptor antagonist, and transfer into fetus and milk in mice. | Arzneimittel-Forschung 20010201 |
| Pharmacokinetics of tolterodine, a muscarinic receptor antagonist, in mouse, rat and dog. Interspecies relationship comparing with human pharmacokinetics. | Arzneimittel-Forschung 20010201 |
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