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Naloxone Impurity 21

CAT: 1299-RM-N011349-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-N011349-01Size:10 mg
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CAS Number
20410-95-1
Synonyms
(4R,4aS,7S,7aR,12bS) -3-allyl-1,2,3,4,5,6,7,7a-octahydro-4aH-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7,9-triol
Molecular Formula
C19H23NO4
Molecular Weight
329.4
Target Alternative Name
Naloxone
Product Name Synonym
(4R,4aS,7S,7aR,12bS) -3-allyl-1,2,3,4,5,6,7,7a-octahydro-4aH-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7,9-triol

Chemical Information

6 Alpha-naloxol

6-Alpha Naloxol is a member of phenanthrenes.

CAS Number20410-95-1
PubChem CID5492271
IUPAC Name(4R,4aS,7S,7aR,12bS)-3-prop-2-enyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7,9-triol
Molecular FormulaC19H23NO4
Molecular Weight329.4
XLogP-0.5
Topological Polar Surface Area73.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count24
Formal Charge0
Complexity555
SMILES
C=CCN1CC[C@]23[C@@H]4[C@H](CC[C@]2([C@H]1CC5=C3C(=C(C=C5)O)O4)O)O
InChI
InChI=1S/C19H23NO4/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/h2-4,13-14,17,21-23H,1,5-10H2/t13-,14+,17-,18-,19+/m0/s1
InChIKey
HMWHERQFMBEHNG-AQQQZIQISA-N
Chemical Structure
2D Structure
2D structure of 6 Alpha-naloxol
CAS: 20410-95-1
CID: 5492271
Formula: C19H23NO4
MW: 329.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight329.4
XLogP3-0.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass329.16270821
Monoisotopic Mass329.16270821
Topological Polar Surface Area73.2 Ų
Heavy Atom Count24
Formal Charge0
Complexity555
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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