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Isothipendyl

CAT: 0931-T32233-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T32233-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
482-15-5
Target
Histamine Receptor, Endogenous Metabolite, Others
Related Pathways
Neuroscience, GPCR/G Protein, Metabolism, Others, Immunology/Inflammation
Bioactivity
Isothipendyl is the first generation of H1 antagonists (antihistamines) and anticholinergics and has an effect on itching.
Smiles
C(C(N(C)C)C)N1C=2C(SC=3C1=NC=CC3)=CC=CC2
Molecular Formula
C16H19N3S
Molecular Weight
285.41
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Isothipendyl

Isothipendyl is an aromatic amine and a tertiary amino compound.

CAS Number482-15-5
PubChem CID3781
IUPAC NameN,N-dimethyl-1-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-2-amine
Molecular FormulaC16H19N3S
Molecular Weight285.4
XLogP3.5
Topological Polar Surface Area44.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count20
Formal Charge0
Complexity323
SMILES
CC(CN1C2=CC=CC=C2SC3=C1N=CC=C3)N(C)C
InChI
InChI=1S/C16H19N3S/c1-12(18(2)3)11-19-13-7-4-5-8-14(13)20-15-9-6-10-17-16(15)19/h4-10,12H,11H2,1-3H3
InChIKey
OQJBSDFFQWMKBQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Isothipendyl
CAS: 482-15-5
CID: 3781
Formula: C16H19N3S
MW: 285.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight285.4
XLogP33.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass285.12996879
Monoisotopic Mass285.12996879
Topological Polar Surface Area44.7 Ų
Heavy Atom Count20
Formal Charge0
Complexity323
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-A0178Isothipendyl
RM-I192703-01(S) -Isothipendyl
591079Isothipendyl hydrochloride
RM-I192702-01(R) -Isothipendyl
HY-A0178S-01Isothipendyl-d6
TRC-I902750-500MGa-Isothipendyl Hydrochloride
AR-I01921-01Isothipendyl HCl
AR-I04173-01Isothipendyl DiHCl
HY-A0178A-01Isothipendyl (hydrochloride)
RM-I192704-01Isothipendyl Impurity 4

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