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ORG 25935

CAT: 0926-ZMB58840-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-ZMB58840-02Size:100 mg
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CAS Number
949588-40-3
MDL Number
MFCD19708017
Smiles
CN (CC1CCC2=C (C1C3=CC=CC=C3) C=CC (=C2) OC) CC (=O) O.Cl
Molecular Formula
C21H26ClNO3
Molecular Weight
375.9 g/mol
Controlled
No

Chemical Information

Org 25935

Org 25935 has been used in trials studying the treatment of Alcoholism, Schizophrenia, and Panic Disorder.

CAS Number949588-40-3
PubChem CID11740218
IUPAC Name2-[[(1R,2S)-6-methoxy-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]methyl-methylamino]acetic acid;hydrochloride
Molecular FormulaC21H26ClNO3
Molecular Weight375.9
Topological Polar Surface Area49.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count26
Formal Charge0
Complexity435
SMILES
CN(C[C@H]1CCC2=C([C@H]1C3=CC=CC=C3)C=CC(=C2)OC)CC(=O)O.Cl
InChI
InChI=1S/C21H25NO3.ClH/c1-22(14-20(23)24)13-17-9-8-16-12-18(25-2)10-11-19(16)21(17)15-6-4-3-5-7-15;/h3-7,10-12,17,21H,8-9,13-14H2,1-2H3,(H,23,24);1H/t17-,21+;/m1./s1
InChIKey
SDTLOODMXMDJFX-JKSHRDEXSA-N
Chemical Structure
2D Structure
2D structure of Org 25935
CAS: 949588-40-3
CID: 11740218
Formula: C21H26ClNO3
MW: 375.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight375.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass375.1601214
Monoisotopic Mass375.1601214
Topological Polar Surface Area49.8 Ų
Heavy Atom Count26
Formal Charge0
Complexity435
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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