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Tolterodine EP Impurity C

CAT: 1299-RM-T201801-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-T201801-01Size:10 mg
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CAS Number
124935-89-3
Synonyms
N, N-Diisopropyl-3- (2-methoxy-5-methylphenyl) -3-phenylpropan-1-amine fumarate
Molecular Formula
C27H37NO5
Molecular Weight
455.59
Target Alternative Name
Tolterodine
Product Name Synonym
N, N-Diisopropyl-3- (2-methoxy-5-methylphenyl) -3-phenylpropan-1-amine fumarate

Chemical Information

Benzenepropanamine, 2-methoxy-5-methyl-N,N-bis(1-methylethyl)-gamma-phenyl-, (2E)-2-butenedioate (1:1)
CAS Number124935-89-3
PubChem CID45357480
IUPAC Name(E)-but-2-enedioic acid;3-(2-methoxy-5-methylphenyl)-3-phenyl-N,N-di(propan-2-yl)propan-1-amine
Molecular FormulaC27H37NO5
Molecular Weight455.6
Topological Polar Surface Area87.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Heavy Atom Count33
Formal Charge0
Complexity472
SMILES
CC1=CC(=C(C=C1)OC)C(CCN(C(C)C)C(C)C)C2=CC=CC=C2.C(=C/C(=O)O)\C(=O)O
InChI
InChI=1S/C23H33NO.C4H4O4/c1-17(2)24(18(3)4)15-14-21(20-10-8-7-9-11-20)22-16-19(5)12-13-23(22)25-6;5-3(6)1-2-4(7)8/h7-13,16-18,21H,14-15H2,1-6H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
InChIKey
GRLOWKNORGTWSK-WLHGVMLRSA-N
Chemical Structure
2D Structure
2D structure of Benzenepropanamine, 2-methoxy-5-methyl-N,N-bis(1-methylethyl)-gamma-phenyl-, (2E)-2-butenedioate (1:1)
CAS: 124935-89-3
CID: 45357480
Formula: C27H37NO5
MW: 455.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight455.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Exact Mass455.26717328
Monoisotopic Mass455.26717328
Topological Polar Surface Area87.1 Ų
Heavy Atom Count33
Formal Charge0
Complexity472
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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