Solifenacin succinate

C27H32N2O6CAS 242478-38-2480.56 g/mol

Open in Covalent MOL file
OHOOOHOONN
CarbamateCarboxylic acidTertiary amine

Properties

Molecular formula
C27H32N2O6
Molar mass
480.56 g/mol
Exact mass
480.2260 Da
logP
3.80Crippen estimate
Polar surface area
107.4 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
5
Stereocentres
R, Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 69 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
242478-38-2
SMILES
O=C(O)CCC(=O)O.O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2[C@@H]1c1ccccc1
InChIKey
RXZMMZZRUPYENV-VROPFNGYSA-N
InChI
InChI=1S/C23H26N2O2.C4H6O4/c26-23(27-21-16-24-13-10-18(21)11-14-24)25-15-12-17-6-4-5-9-20(17)22(25)19-7-2-1-3-8-19;5-3(6)1-2-4(7)8/h1-9,18,21-22H,10-16H2;1-2H2,(H,5,6)(H,7,8)/t21-,22-;/m0./s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • Butanedioic acid, compd. with (1S)-(3R)-1-azabicyclo[2.2.2]oct-3-yl 3,4-dihydro-1-phenyl-2(1H)-isoquinolinecarboxylate (1:1)
  • 2(1H)-Isoquinolinecarboxylic acid, 3,4-dihydro-1-phenyl-, (3R)-1-azabicyclo[2.2.2]oct-3-yl ester, (1S)-, butanedioate (1:1)
  • Vesicare
  • Vesikur
  • YM 67905

Work with Solifenacin succinate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Succinic acid110-15-6Free acid Solifenacin242478-37-1Free base 1-(2-Hydroxyethyl)-2,2,6,6-tetramethyl-4-hydroxypiperidine-succinic acid copolymer70198-29-7Salt Donormil562-10-7Salt Sumatriptan succinate103628-48-4Salt Loxapine succinate27833-64-3Salt Metoprolol succinate98418-47-4Salt Diammonium succinate2226-88-2Salt Disodium succinate150-90-3Salt Mexidol127464-43-1Salt 1,1-Dimethylethyl N-[(1S,3S,4S)-4-amino-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]carbamate butanedioate (2:1)183388-64-9Salt Lasmiditan succinate439239-92-6Salt

Similar compounds

(1,2,3,4-Tetrahydro-isoquinolin-1-yl)-acetic acid105400-81-535 % similar 2-Benzoyl-1,2,3,6,7,11b-hexahydro-4H-pyrazino[2,1-a]isoquinolin-4-one54761-87-435 % similar Fmoc-L-beta-homoproline193693-60-635 % similar Aceclidine827-61-234 % similar 1-[(9H-Fluoren-9-ylmethoxy)carbonyl]-4-piperidineacetic acid180181-05-934 % similar Weinreb linker247021-90-533 % similar 3-Phenylglutaric acid4165-96-233 % similar Diphenylpropionic acid606-83-733 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(S)-Alpha-Fmoc-D-Boc-4-Piperidylglycine204058-24-2

Elsewhere

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