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OTS 964

CAT: 0926-NDC54507-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-NDC54507-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1338545-07-5
MDL Number
MFCD28386220
Smiles
C[C@@H] (CN (C) C) C1=CC=C (C=C1) C2=C (C=CC3=C2C4=C (C (=O) N3) SC=C4) O
Molecular Formula
C23H24N2O2S·HCl
Molecular Weight
392.51 g/mol
Controlled
No

Chemical Information

OTS964 hydrochloride
CAS Number1338545-07-5
PubChem CID89675898
IUPAC Name9-[4-[(2R)-1-(dimethylamino)propan-2-yl]phenyl]-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one;hydrochloride
Molecular FormulaC23H25ClN2O2S
Molecular Weight429.0
Topological Polar Surface Area80.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity563
SMILES
CC1=CC(=C(C2=C1NC(=O)C3=C2C=CS3)C4=CC=C(C=C4)[C@@H](C)CN(C)C)O.Cl
InChI
InChI=1S/C23H24N2O2S.ClH/c1-13-11-18(26)19(16-7-5-15(6-8-16)14(2)12-25(3)4)20-17-9-10-28-22(17)23(27)24-21(13)20;/h5-11,14,26H,12H2,1-4H3,(H,24,27);1H/t14-;/m0./s1
InChIKey
YHPWOYBWUWSJDW-UQKRIMTDSA-N
Chemical Structure
2D Structure
2D structure of OTS964 hydrochloride
CAS: 1338545-07-5
CID: 89675898
Formula: C23H25ClN2O2S
MW: 429.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight429.0
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass428.1325269
Monoisotopic Mass428.1325269
Topological Polar Surface Area80.8 Ų
Heavy Atom Count29
Formal Charge0
Complexity563
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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