U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C19H23NO3
Molecular Weight 313.3908
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DE(ISOPROPYL)TOLTERODINE-5-CARBOXYLIC ACID

SMILES

CC(C)NCC[C@H](C1=CC=CC=C1)C2=C(O)C=CC(=C2)C(O)=O

InChI

InChIKey=LXKJBTVDQUGPBU-MRXNPFEDSA-N
InChI=1S/C19H23NO3/c1-13(2)20-11-10-16(14-6-4-3-5-7-14)17-12-15(19(22)23)8-9-18(17)21/h3-9,12-13,16,20-21H,10-11H2,1-2H3,(H,22,23)/t16-/m1/s1

HIDE SMILES / InChI

Molecular Formula C19H23NO3
Molecular Weight 313.3908
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
HTH505GY1G
Record Status Validated (UNII)
Record Version