Cas no 89482-01-9 (Dibenzo[b,f]thiepin-2-aceticacid, 10,11-dihydro-a-methyl-10-oxo-, (aS)-)
![Dibenzo[b,f]thiepin-2-aceticacid, 10,11-dihydro-a-methyl-10-oxo-, (aS)- structure](https://ossimg.kuujia.com/scimg/89500/89482-01-9x500.png)
89482-01-9 structure
Product Name:Dibenzo[b,f]thiepin-2-aceticacid, 10,11-dihydro-a-methyl-10-oxo-, (aS)-
CAS No:89482-01-9
MF:C17H14O3S
MW:298.356263637543
CID:711783
PubChem ID:13306546
Update Time:2025-04-19
Dibenzo[b,f]thiepin-2-aceticacid, 10,11-dihydro-a-methyl-10-oxo-, (aS)- Chemical and Physical Properties
Names and Identifiers
-
- Dibenzo[b,f]thiepin-2-aceticacid, 10,11-dihydro-a-methyl-10-oxo-, (aS)-
- zaltoprofen
- 89482-01-9
- Zaltoprofen (S)-form [MI]
- DIBENZO(B,F)THIEPIN-2-ACETIC ACID, 10,11-DIHYDRO-.ALPHA.-METHYL-10-OXO-, (.ALPHA.S)-
- 6MG32PF05M
- UNII-6MG32PF05M
- Dibenzo(b,f)thiepin-2-acetic acid, 10,11-dihydro-alpha-methyl-10-oxo-, (alphaS)-
- Q27265158
- (S)-Zaltoprofen
- Zaltoprofen, (S)-
- SCHEMBL12244150
-
- Inchi： 1S/C17H14O3S/c1-10(17(19)20)11-6-7-15-12(8-11)9-14(18)13-4-2-3-5-16(13)21-15/h2-8,10H,9H2,1H3,(H,19,20)/t10-/m0/s1
- InChI Key： MUXFZBHBYYYLTH-JTQLQIEISA-N
- SMILES： S1C2C=CC=CC=2C(CC2C=C(C=CC1=2)[C@@H](C(=O)O)C)=O
Computed Properties
- Exact Mass: 298.06636548g/mol
- Monoisotopic Mass: 298.06636548g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 21
- Rotatable Bond Count: 2
- Complexity: 422
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.5
- Topological Polar Surface Area: 79.7?2
Experimental Properties
- Melting Point: 129.5-131°
- Specific Rotation: D25 +32.4° (c = 1 in CHCl3)
Dibenzo[b,f]thiepin-2-aceticacid, 10,11-dihydro-a-methyl-10-oxo-, (aS)- Related Literature
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Alena Koukalová,?árka Pokorná,Aimee L. Boyle,Nestor Lopez Mora,Alexander Kros,Martin Hof,Radek ?achl Nanoscale, 2018,10, 19064-19073
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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