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SB 612111 hydrochloride

CAT: 0607-B7433-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-B7433-10Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
NOP receptor antagonist
CAS Number
371980-94-8
Product Name Alternative
(5S,7S)-7-((4-(2,6-dichlorophenyl)piperidin-1-yl)methyl)-1-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol hydrochloride
Field of Research
GPCR G protein NOP Receptor
Form
Off-white solid
Solubility
<45.49mg/ml in ethanol; <45.49mg/ml in DMSO
Smiles
CC1=C2CC[C@@](CN3CCC(C4=C(Cl)C=CC=C4Cl)CC3)([H])C[C@@](O)([H])C2=CC=C1.Cl
Molecular Formula
C24H29Cl2NO·HCl
Molecular Weight
454.86
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

7-[[4-(2,6-Dichlorophenyl)piperidin-1-yl]methyl]-1-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol;hydrochloride
CAS Number371980-94-8
PubChem CID10297915
IUPAC Name7-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-1-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol;hydrochloride
Molecular FormulaC24H30Cl3NO
Molecular Weight454.9
Topological Polar Surface Area23.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count29
Formal Charge0
Complexity485
SMILES
CC1=C2CCC(CC(C2=CC=C1)O)CN3CCC(CC3)C4=C(C=CC=C4Cl)Cl.Cl
InChI
InChI=1S/C24H29Cl2NO.ClH/c1-16-4-2-5-20-19(16)9-8-17(14-23(20)28)15-27-12-10-18(11-13-27)24-21(25)6-3-7-22(24)26;/h2-7,17-18,23,28H,8-15H2,1H3;1H
InChIKey
DCKUVQADDNMWEF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7-[[4-(2,6-Dichlorophenyl)piperidin-1-yl]methyl]-1-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol;hydrochloride
CAS: 371980-94-8
CID: 10297915
Formula: C24H30Cl3NO
MW: 454.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight454.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass453.139298
Monoisotopic Mass453.139298
Topological Polar Surface Area23.5 Ų
Heavy Atom Count29
Formal Charge0
Complexity485
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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