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Berupipam

CAT: 0931-T70526-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T70526-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
150490-85-0
Target
Others
Related Pathways
Others
Bioactivity
Berupipam is a dopamine D1 receptor antagonist.
Smiles
CN1C[C@@H](C=2C(=CC(Cl)=C(O)C2)CC1)C3=C4C(=CC(Br)=C3)CCO4
Molecular Formula
C19H19BrClNO2
Molecular Weight
408.72
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Berupipam

Berupipam is a small molecule drug. Berupipam has a monoisotopic molecular weight of 407.03 Da.

CAS Number150490-85-0
PubChem CID66002
IUPAC Name(5S)-5-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-8-chloro-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
Molecular FormulaC19H19BrClNO2
Molecular Weight408.7
XLogP4.7
Topological Polar Surface Area32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count24
Formal Charge0
Complexity453
SMILES
CN1CCC2=CC(=C(C=C2[C@H](C1)C3=CC(=CC4=C3OCC4)Br)O)Cl
InChI
InChI=1S/C19H19BrClNO2/c1-22-4-2-11-7-17(21)18(23)9-14(11)16(10-22)15-8-13(20)6-12-3-5-24-19(12)15/h6-9,16,23H,2-5,10H2,1H3/t16-/m0/s1
InChIKey
DIKLCFJDIZFAOM-INIZCTEOSA-N
Chemical Structure
2D Structure
2D structure of Berupipam
CAS: 150490-85-0
CID: 66002
Formula: C19H19BrClNO2
MW: 408.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight408.7
XLogP34.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass407.02877
Monoisotopic Mass407.02877
Topological Polar Surface Area32.7 Ų
Heavy Atom Count24
Formal Charge0
Complexity453
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5813066Berupipam
HY-107081Berupipam (hemifumarate)

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