[(4R,4aS,7aR,12bS)-9-methoxy-3-methyl-7-oxo-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-4a-yl] propanoate

Modify Date: 2024-04-05 14:19:57

[(4R,4aS,7aR,12bS)-9-methoxy-3-methyl-7-oxo-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-4a-yl] propanoate Structure
[(4R,4aS,7aR,12bS)-9-methoxy-3-methyl-7-oxo-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-4a-yl] propanoate structure
 Common Name [(4R,4aS,7aR,12bS)-9-methoxy-3-methyl-7-oxo-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-4a-yl] propanoate
CAS Number 981-01-1 Molecular Weight 369.41100
Density 1.35g/cm3 Boiling Point 514.5ºC at 760 mmHg
Molecular Formula C21H23NO5 Melting Point N/A
MSDS N/A Flash Point 265ºC

 Names

Name [(4R,4aS,7aR,12bS)-9-methoxy-3-methyl-7-oxo-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-4a-yl] propanoate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.35g/cm3
Boiling Point 514.5ºC at 760 mmHg
Molecular Formula C21H23NO5
Molecular Weight 369.41100
Flash Point 265ºC
Exact Mass 369.15800
PSA 65.07000
LogP 1.72300
Index of Refraction 1.631
InChIKey MIQYLPZRCQLVEI-PSOYPTMXSA-N
SMILES CCC(=O)OC12C=CC(=O)C3Oc4c(OC)ccc5c4C31CCN(C)C2C5

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
QD2167000
CHEMICAL NAME :
Morphinan-6-one, 7,8-didehydro-4,5-alpha-epoxy-14-hydroxy-3-methoxy-17 -methyl-, propionate (ester)
CAS REGISTRY NUMBER :
981-01-1
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C21-H23-N-O5
MOLECULAR WEIGHT :
369.45

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
150 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold
REFERENCE :
JPPMAB Journal of Pharmacy and Pharmacology. (Pharmaceutical Soc. of Great Britain, 1 Lambeth High St., London SEI 7JN, UK) V.1- 1949- Volume(issue)/page/year: 16(Suppl),68T,1964
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
110 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold
REFERENCE :
JPPMAB Journal of Pharmacy and Pharmacology. (Pharmaceutical Soc. of Great Britain, 1 Lambeth High St., London SEI 7JN, UK) V.1- 1949- Volume(issue)/page/year: 16(Suppl),68T,1964

 Synthetic Route

(4R,4aS,7S,7aR,12bS)-9-methoxy-3-methyl-1,2,4,7,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7-diol structure

(4R,4aS,7S,7aR,...

CAS#:4829-46-3

~%

[(4R,4aS,7aR,12bS)-9-methoxy-3-methyl-7-oxo-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-4a-yl] propanoate Structure

[(4R,4aS,7aR,12...

CAS#:981-01-1

Literature: Currie,A.C. et al. Journal of the Chemical Society, 1960 , p. 773 - 781
14-hydroxycodeine diacatate structure

14-hydroxycodei...

CAS#:103458-67-9

~%

[(4R,4aS,7aR,12bS)-9-methoxy-3-methyl-7-oxo-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-4a-yl] propanoate Structure

[(4R,4aS,7aR,12...

CAS#:981-01-1

Literature: Currie,A.C. et al. Journal of the Chemical Society, 1960 , p. 773 - 781
6α-acetoxy-4,5α-epoxy-3-methoxy-17-methyl-morphin-7-en-14-ol structure

6α-acetoxy-4,5α...

CAS#:100740-63-4

~%

[(4R,4aS,7aR,12bS)-9-methoxy-3-methyl-7-oxo-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-4a-yl] propanoate Structure

[(4R,4aS,7aR,12...

CAS#:981-01-1

Literature: Currie,A.C. et al. Journal of the Chemical Society, 1960 , p. 773 - 781
14-Hydroxy Codeinone structure

14-Hydroxy Codeinone

CAS#:508-54-3

Propionic anhydride structure

Propionic anhydride

CAS#:123-62-6

~%

[(4R,4aS,7aR,12bS)-9-methoxy-3-methyl-7-oxo-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-4a-yl] propanoate Structure

[(4R,4aS,7aR,12...

CAS#:981-01-1

Literature: Currie,A.C. et al. Journal of the Chemical Society, 1960 , p. 773 - 781

 Synonyms

14-Propionyloxy-kodeinon
14-Propionyloxycodeinon
Codeinone,14-hydroxy-,propionate
Morphinan-6-one,7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-14-(1-oxopropoxy)-,(5alpha)
Morphinan-6-one,7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-14-(1-oxopropoxy)-,(5)
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Chemsrc provides CAS#:981-01-1 MSDS, density, melting point, boiling point, structure, etc. Its name is [(4R,4aS,7aR,12bS)-9-methoxy-3-methyl-7-oxo-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-4a-yl] propanoate>> amp version: [(4R,4aS,7aR,12bS)-9-methoxy-3-methyl-7-oxo-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-4a-yl] propanoate

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