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SDZ SER 082 fumarate

CAT: 0931-T23346-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T23346-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
141474-54-6
Target
Others
Related Pathways
Others
Bioactivity
5-HT2B/2C receptor antagonist
Smiles
CN1C[C@]2(C=3C=4N(C[C@]2(CC1)[H])CCC4C=CC3)[H]
Molecular Formula
C15H20N2
Molecular Weight
228.33
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

SDZ SER 082 fumarate
CAS Number141474-54-6
PubChem CID45073480
IUPAC Name(E)-but-2-enedioic acid;(2R,7S)-4-methyl-4,9-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),12(16),13-triene
Molecular FormulaC19H24N2O4
Molecular Weight344.4
Topological Polar Surface Area81.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count25
Formal Charge0
Complexity422
SMILES
CN1CC[C@@H]2CN3CCC4=C3C(=CC=C4)[C@@H]2C1.C(=C/C(=O)O)\C(=O)O
InChI
InChI=1S/C15H20N2.C4H4O4/c1-16-7-5-12-9-17-8-6-11-3-2-4-13(15(11)17)14(12)10-16;5-3(6)1-2-4(7)8/h2-4,12,14H,5-10H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t12-,14-;/m1./s1
InChIKey
DXUZZRDHJMOLTN-MRYVXRNOSA-N
Chemical Structure
2D Structure
2D structure of SDZ SER 082 fumarate
CAS: 141474-54-6
CID: 45073480
Formula: C19H24N2O4
MW: 344.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight344.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass344.17360725
Monoisotopic Mass344.17360725
Topological Polar Surface Area81.1 Ų
Heavy Atom Count25
Formal Charge0
Complexity422
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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