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Siltenzepine 25mg

CAT: 0628-A19818-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0628-A19818-25Size:25 mg
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CAS Number
98374-54-0

Chemical Information

Siltenzepine

Siltenzepine is a small molecule drug. The usage of the INN stem '-zepine' in the name indicates that Siltenzepine is a tricyclic compound. Siltenzepine has a monoisotopic molecular weight of 389.11 Da.

CAS Number98374-54-0
PubChem CID126921
IUPAC Name11-[2-[bis(2-hydroxyethyl)amino]acetyl]-3-chloro-5H-benzo[b][1,4]benzodiazepin-6-one
Molecular FormulaC19H20ClN3O4
Molecular Weight389.8
XLogP1.1
Topological Polar Surface Area93.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count27
Formal Charge0
Complexity529
SMILES
C1=CC=C2C(=C1)C(=O)NC3=C(N2C(=O)CN(CCO)CCO)C=CC(=C3)Cl
InChI
InChI=1S/C19H20ClN3O4/c20-13-5-6-17-15(11-13)21-19(27)14-3-1-2-4-16(14)23(17)18(26)12-22(7-9-24)8-10-25/h1-6,11,24-25H,7-10,12H2,(H,21,27)
InChIKey
DDBKYWMANNIJRH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Siltenzepine
CAS: 98374-54-0
CID: 126921
Formula: C19H20ClN3O4
MW: 389.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight389.8
XLogP31.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass389.1142338
Monoisotopic Mass389.1142338
Topological Polar Surface Area93.1 Ų
Heavy Atom Count27
Formal Charge0
Complexity529
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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