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Naloxone-d5 HCl

CAT: 1596-AR-N01096-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-N01096-01Size:10 Units
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CAS Number
1426174-78-8
Synonyms
(4R,4aS,7aR,12bS) -3-allyl-4a,9-dihydroxy-2,3,4,4a,5,6-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7 (7aH) -one-D5 hydrochloride; (5?) -4,5-Epoxy-3,14-dihydroxy-17- (2-propenyl) morphinan-6-one Hydrochloride-D5; 17-Allyl-4,5?-epoxy-3,14-dihydroxymorphinan-6-one Hydrochloride-D5; Nalone-D5; Narcan-D5; Narcanti-D5; EN-15304
Molecular Formula
C19H16D5NO4. HCl
Molecular Weight
332.41 36.46
API Name
Naloxone

Chemical Information

(4R,4aS,7aR,12bS)-4a,9-dihydroxy-3-(1,1,2,3,3-pentadeuterioprop-2-enyl)-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;hydrochloride
CAS Number1426174-78-8
PubChem CID172653297
IUPAC Name(4R,4aS,7aR,12bS)-4a,9-dihydroxy-3-(1,1,2,3,3-pentadeuterioprop-2-enyl)-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;hydrochloride
Molecular FormulaC19H22ClNO4
Molecular Weight368.9
Topological Polar Surface Area70
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count25
Formal Charge0
Complexity594
SMILES
[2H]C(=C([2H])C([2H])([2H])N1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)O)O4)O)[2H].Cl
InChI
InChI=1S/C19H21NO4.ClH/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11;/h2-4,14,17,21,23H,1,5-10H2;1H/t14-,17+,18+,19-;/m1./s1/i1D2,2D,8D2;
InChIKey
RGPDIGOSVORSAK-OTBQWCOFSA-N
Chemical Structure
2D Structure
2D structure of (4R,4aS,7aR,12bS)-4a,9-dihydroxy-3-(1,1,2,3,3-pentadeuterioprop-2-enyl)-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;hydrochloride
CAS: 1426174-78-8
CID: 172653297
Formula: C19H22ClNO4
MW: 368.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight368.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass368.1551196
Monoisotopic Mass368.1551196
Topological Polar Surface Area70 Ų
Heavy Atom Count25
Formal Charge0
Complexity594
Isotope Atom Count5
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
TMIH-0364-01Naloxone-d5
RM-N011327-01Naloxone D5
TMIJ-0213-01Naloxone-d5 HCl
165591Naloxone-d5 discontinued
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CS-O-05704Naloxone-d5 Glucuronide
TRC-A558802-0.5MG3-Allyl Naloxone-d5
LAC08221-01Naloxone-d5 3-methyl ether
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