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Ro 25-6981 100mg

CAT: 0628-A13144-100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0628-A13144-100Size:100 mg
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CAS Number
169274-78-6

Chemical Information

Ro 25-6981

Ro 25-6981 is a member of the class of piperidines that is 4-benzylpiperidine substituted by a 3-hydroxy-3-(4-hydroxyphenyl)-2-methylpropyl group at position 1 (the 1R,2S-stereoisomer). It is a potent antagonist of the GluN2B subunit of the N-methyl-D-aspartate (NMDA) receptor. It has a role as an antidepressant, an anticonvulsant, a NMDA receptor antagonist and a neuroprotective agent. It is a member of benzenes, a member of piperidines, a member of phenols, a secondary alcohol and a tertiary amino compound. It is a conjugate base of a Ro 25-6981(1+).

CAS Number169274-78-6
PubChem CID6604887
IUPAC Name4-[(1R,2S)-3-(4-benzylpiperidin-1-yl)-1-hydroxy-2-methylpropyl]phenol
Molecular FormulaC22H29NO2
Molecular Weight339.5
XLogP4.2
Topological Polar Surface Area43.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count25
Formal Charge0
Complexity366
SMILES
C[C@@H](CN1CCC(CC1)CC2=CC=CC=C2)[C@H](C3=CC=C(C=C3)O)O
InChI
InChI=1S/C22H29NO2/c1-17(22(25)20-7-9-21(24)10-8-20)16-23-13-11-19(12-14-23)15-18-5-3-2-4-6-18/h2-10,17,19,22,24-25H,11-16H2,1H3/t17-,22+/m0/s1
InChIKey
WVZSEUPGUDIELE-HTAPYJJXSA-N
Chemical Structure
2D Structure
2D structure of Ro 25-6981
CAS: 169274-78-6
CID: 6604887
Formula: C22H29NO2
MW: 339.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight339.5
XLogP34.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass339.219829168
Monoisotopic Mass339.219829168
Topological Polar Surface Area43.7 Ų
Heavy Atom Count25
Formal Charge0
Complexity366
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
F223377IRSA Method 5090 Pesticide Mixture, 25 components, 100mg/l each in Acetone
MBS131885Ro 25-6981
256479-01Ro 25-6981 maleate
HY-13993BRo 25-6981 (hydrochloride)
T24717-01Ro 25-6981 HCl

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