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Naloxone-d5

CAT: 0572-TRC-N285002-1MGSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-N285002-1MGSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1261079-38-2
Synonyms
Morphinan-6-one, 4,5-epoxy-3,14-dihydroxy-17-(2-propen-1-yl-1,1,2,3,3-d5)-, (5α)-; (4R,4aS,7aR,12bS)-3-(Allyl-d5)-4a,9-dihydroxy-2,3,4,4a,5,6-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7(7aH)-one; Naloxone-D5; Naloxone-D5 (allyl-D5); Naloxone-d5
Hazard Statement
Harmful if swallowed.
Purity
>95% (HPLC)
Smiles
[2H]C(=C([2H])C([2H])([2H])N1CC[C@]23[C@H]4Oc5c(O)ccc(C[C@@H]1[C@]2(O)CCC4=O)c35)[2H]
Molecular Formula
C19 D5 H16 N O4
Molecular Weight
332.405
InChI
InChI=1S/C19H21NO4/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/t14-,17+,18+,19-/m1/s1/i1D2,2D,8D2
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Naloxone-d5
CAS Number1261079-38-2
PubChem CID71750914
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
Molecular FormulaC19H21NO4
Molecular Weight332.4
XLogP2.1
Topological Polar Surface Area70
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count24
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]
InChI
InChI=1S/C19H21NO4/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/t14-,17+,18+,19-/m1/s1/i1D2,2D,8D2
InChIKey
UZHSEJADLWPNLE-HEEDNVRVSA-N
Chemical Structure
2D Structure
2D structure of Naloxone-d5
CAS: 1261079-38-2
CID: 71750914
Formula: C19H21NO4
MW: 332.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight332.4
XLogP32.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass332.17844188
Monoisotopic Mass332.17844188
Topological Polar Surface Area70 Ų
Heavy Atom Count24
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 Count1
Compound Is CanonicalizedYes

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Alternative Products

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AR-N09020-01Naloxone-d5
RM-N011327-01Naloxone D5
TMIJ-0213-01Naloxone-d5 HCl
165591Naloxone-d5 discontinued
CS-SN-00057Naloxone-D5 Hydrochloride
CS-O-05704Naloxone-d5 Glucuronide
LAC08221-01Naloxone-d5 3-methyl ether
423647-013-Allyl Naloxone-d5 discontinued
460522-01Naloxone-d5 N-Oxide discontinued
GC2061-1mgNaloxone-d5 3-O-β-D-glucuronide

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