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Samidorphan

CAT: 1596-AR-S09524-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-S09524-02Size:25 Units
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CAS Number
852626-89-2
Synonyms
(4bR,8aS,9R) -11- (cyclopropylmethyl) -4,8a-dihydroxy-6-oxo-6,7,8,8a,9,10-hexahydro-5H-9,4b- (epiminoethano) phenanthrene-3-carboxamide
Molecular Formula
C21H26N2O4
Molecular Weight
370.4
API Name
Samidorphan

Chemical Information

Samidorphan

Samidorphan is a member of phenanthrenes.

CAS Number852626-89-2
PubChem CID11667832
IUPAC Name(1R,9R,10S)-17-(cyclopropylmethyl)-3,10-dihydroxy-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide
Molecular FormulaC21H26N2O4
Molecular Weight370.4
XLogP1.1
Topological Polar Surface Area104
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count27
Formal Charge0
Complexity665
SMILES
C1CC1CN2CC[C@]34CC(=O)CC[C@]3([C@H]2CC5=C4C(=C(C=C5)C(=O)N)O)O
InChI
InChI=1S/C21H26N2O4/c22-19(26)15-4-3-13-9-16-21(27)6-5-14(24)10-20(21,17(13)18(15)25)7-8-23(16)11-12-1-2-12/h3-4,12,16,25,27H,1-2,5-11H2,(H2,22,26)/t16-,20-,21-/m1/s1
InChIKey
RYIDHLJADOKWFM-MAODMQOUSA-N
Chemical Structure
2D Structure
2D structure of Samidorphan
CAS: 852626-89-2
CID: 11667832
Formula: C21H26N2O4
MW: 370.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight370.4
XLogP31.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass370.18925731
Monoisotopic Mass370.18925731
Topological Polar Surface Area104 Ų
Heavy Atom Count27
Formal Charge0
Complexity665
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-123689-01Samidorphan
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MBS5813505Olanzapine/Samidorphan
GTR19211783-01Iso-Samidorphan
M36054-01Samidorphan HCl
CS-O-52840Samidorphan-d5
HY-123689RSamidorphan (Standard)
HY-123689A-01Samidorphan (hydrochloride)
RM-S012107-01Samidorphan Impurity 7
TRC-H299880-10MG10-Hydroxy Samidorphan

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