chempirical

Clopidogrel (-)-(1R)-camphor-10 sulfonate

C26H32ClNO6S2CAS 120202-68-8554.11 g/mol

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SOOOHOOOClNS
Aryl halideEsterKetoneSulfonic acidTertiary amine

Properties

Molecular formula
C26H32ClNO6S2
Molar mass
554.11 g/mol
Exact mass
553.1360 Da
logP
4.94Crippen estimate
Polar surface area
101.0 Ų
H-bond donors / acceptors
1 / 7
Rotatable bonds
5
Stereocentres
S, R, Sin SMILES atom order

Identifiers

CAS number
120202-68-8
SMILES
CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)O)C(=O)C2.COC(=O)[C@H](c1ccccc1Cl)N1CCc2sccc2C1
InChIKey
XEENARPWPCQXST-LGPMUQLOSA-N
InChI
InChI=1S/C16H16ClNO2S.C10H16O4S/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-14-11(10-18)7-9-21-14;1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14/h2-5,7,9,15H,6,8,10H2,1H3;7H,3-6H2,1-2H3,(H,12,13,14)/t15-;7-,10-/m00/s1

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Names and synonyms

7 names
  • Thieno[3,2-C]pyridine-5(4H)-acetic acid, α-(2-chlorophenyl)-6,7-dihydro-, methyl ester, (αS)-, (1R,4S)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-methanesulfonate (1:1)
  • Thieno[3,2-c]pyridine-5(4H)-acetic acid, α-(2-chlorophenyl)-6,7-dihydro-, methyl ester, (S)-, (1R)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-methanesulfonate
  • Thieno[3,2-c]pyridine-5(4H)-acetic acid, α-(2-chlorophenyl)-6,7-dihydro-, methyl ester, (αS)-, (1R,4S)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-methanesulfonate
  • Bicyclo[2.2.1]heptane-1-methanesulfonic acid, 7,7-dimethyl-2-oxo-, (1R)-, compd. with (S)-methyl α-(2-chlorophenyl)-6,7-dihydrothieno[3,2-c]pyridine-5(4H)-acetate (1:1)
  • Bicyclo[2.2.1]heptane-1-methanesulfonic acid, 7,7-dimethyl-2-oxo-, (1R,4S)-, compd. with methyl (αS)-α-(2-chlorophenyl)-6,7-dihydrothieno[3,2-c]pyridine-5(4H)-acetate (1:1)
  • (S)-Clopidogrel l-camphor-10 sulfonate
  • (S)-Clopidogrel L-camphorsulfonate

Work with Clopidogrel (-)-(1R)-camphor-10 sulfonate

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

Similar compounds

Clopidogrel bisulfate120202-66-665 % similar (R)-Clopidogrel bisulfate120202-71-365 % similar (±)-Clopidogrel bisulfate135046-48-965 % similar Clopidogrel113665-84-264 % similar (-)-Camphorsulfonic acid35963-20-344 % similar Camphorsulfonic acid5872-08-244 % similar 10-Camphorsulfonyl chloride21286-54-435 % similar Bicyclo[2.2.1]heptane-1-methanesulfonic acid, 7,7-dimethyl-2-oxo-, (1S,4R)-, compd. with 8-fluoro-1,3,4,5-tetrahydro-2-[4-[(methylamino)methyl]phenyl]-6H-pyrrolo[4,3,2-ef][2]benzazepin-6-one (1:1)1859053-21-633 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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