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Naloxone EP Impurity C

CAT: 1299-RM-N011303-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-N011303-01Size:10 mg
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CAS Number
2139253-68-0
Synonyms
(4R,4aS,7aR,12bS,13S) -3-allyl-4a,9,13-trihydroxy-2,3,4,4a,5,6-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7 (7aH) -one
Molecular Formula
C19H21NO5
Molecular Weight
343.37
Target Alternative Name
Naloxone
Product Name Synonym
(4R,4aS,7aR,12bS,13S) -3-allyl-4a,9,13-trihydroxy-2,3,4,4a,5,6-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7 (7aH) -one

Chemical Information

Naloxone EP Impurity C
CAS Number2139253-68-0
PubChem CID71749209
IUPAC Name(4R,4aS,7aR,12bS,13S)-4a,9,13-trihydroxy-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
Molecular FormulaC19H21NO5
Molecular Weight343.4
XLogP1
Topological Polar Surface Area90.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count25
Formal Charge0
Complexity625
SMILES
C=CCN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1[C@H](C5=C3C(=C(C=C5)O)O4)O)O
InChI
InChI=1S/C19H21NO5/c1-2-8-20-9-7-18-13-10-3-4-11(21)15(13)25-17(18)12(22)5-6-19(18,24)16(20)14(10)23/h2-4,14,16-17,21,23-24H,1,5-9H2/t14-,16+,17-,18-,19+/m0/s1
InChIKey
INQPEYLRYLSPCY-YCVVXREPSA-N
Chemical Structure
2D Structure
2D structure of Naloxone EP Impurity C
CAS: 2139253-68-0
CID: 71749209
Formula: C19H21NO5
MW: 343.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight343.4
XLogP31
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass343.14197277
Monoisotopic Mass343.14197277
Topological Polar Surface Area90.2 Ų
Heavy Atom Count25
Formal Charge0
Complexity625
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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