(αS,7RS)-methyl-α-(7-hydroxy-4,5,6,7-tetrahydro-5-thieno[3,2-c]pyridyl)-o-chlorophenylacetate para-toluenesulfonate
- CAS No.: 855522-41-7
- Molecular Weight：510.02
- Modify Date.: 2022-11-04 23:28
1. Names and Identifiers
- 1.1 Name
- (αS,7RS)-methyl-α-(7-hydroxy-4,5,6,7-tetrahydro-5-thieno[3,2-c]pyridyl)-o-chlorophenylacetate para-toluenesulfonate
- 1.2 CAS No.
- 855522-41-7
- 1.3 Molecular Formula
- C23H24ClNO6S2 (isomer)
- 1.4 Inchi
- InChI=1/C16H16ClNO3S.C7H8O3S/c1-21-16(20)14(11-4-2-3-5-12(11)17)18-8-10-6-7-22-15(10)13(19)9-18;1-6-2-4-7(5-3-6)11(8,9)10/h2-7,13-14,19H,8-9H2,1H3;2-5H,1H3,(H,8,9,10)/t13?,14-;/s2
- 1.5 InChkey
- GDXDJCCCFDWRCK-VASUZFEPNA-N
- 1.6 Canonical Smiles
- CC1=CC=C(C=C1)S(O)(=O)=O.COC(=O)[C@@H](N1CC(O)C2=C(C1)C=CS2)C1=C(Cl)C=CC=C1
- 1.7 Isomers Smiles
- CC1=CC=C(C=C1)S(O)(=O)=O.COC(=O)[C@@H](N1CC(O)C2=C(C1)C=CS2)C1=C(Cl)C=CC=C1
2. Properties
- 2.1 Density
- N\/A
- 2.1 Melting point
- N\/A
- 2.1 Boiling point
- N\/A
- 2.1 Precise Quality
- 509.07300
- 2.1 PSA
- 140.76000
- 2.1 logP
- 5.42520
4. Realated Product Infomation
![(αS,7RS)-methyl-α-(7-hydroxy-4,5,6,7-tetrahydro-5-thieno[3,2-c]pyridyl)-o-chlorophenylacetate para-toluenesulfonate structure](http://structimg.guidechem.com/11/35/12148954.png)
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