(6R)-6-(Dimethylamino)-4,4-diphenyl-3-heptanone hydrochloride (1: 1)

Modify Date: 2024-01-23 18:31:25

(6R)-6-(Dimethylamino)-4,4-diphenyl-3-heptanone hydrochloride (1: 1) Structure
(6R)-6-(Dimethylamino)-4,4-diphenyl-3-heptanone hydrochloride (1: 1) structure
Common Name (6R)-6-(Dimethylamino)-4,4-diphenyl-3-heptanone hydrochloride (1: 1)
CAS Number 5967-73-7 Molecular Weight 345.90600
Density N/A Boiling Point 423.7ºC at 760 mmHg
Molecular Formula C21H28ClNO Melting Point 220-227ºC
MSDS N/A Flash Point 126.5ºC

 Names

Name (6R)-6-(Dimethylamino)-4,4-diphenyl-3-heptanone hydrochloride (1: 1)
Synonym More Synonyms

 Chemical & Physical Properties

Boiling Point 423.7ºC at 760 mmHg
Melting Point 220-227ºC
Molecular Formula C21H28ClNO
Molecular Weight 345.90600
Flash Point 126.5ºC
Exact Mass 345.18600
PSA 20.31000
LogP 5.09400

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MJ6475000
CHEMICAL NAME :
3-Heptanone, 6-(dimethylamino)-4,4-diphenyl-, hydrochloride, (-)-
CAS REGISTRY NUMBER :
5967-73-7
LAST UPDATED :
199601
DATA ITEMS CITED :
8
MOLECULAR FORMULA :
C21-H27-N-O.Cl-H
MOLECULAR WEIGHT :
345.95

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human
DOSE/DURATION :
44 ug/kg
TOXIC EFFECTS :
Behavioral - hallucinations, distorted perceptions Behavioral - analgesia
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 93,282,1948
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
24 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 98,305,1950
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
20 mg/kg
TOXIC EFFECTS :
Endocrine - other changes
REFERENCE :
BJPCAL British Journal of Pharmacology and Chemotherapy. (London, UK) V.1-33, 1946-68. For publisher information, see BJPCBM. Volume(issue)/page/year: 10,260,1955
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
97300 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JOCEAH Journal of Organic Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB 57136, West End Stn., Washington, DC 20037) V.1- 1936- Volume(issue)/page/year: 17,321,1952
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
30 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 98,305,1950
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
19 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 98,305,1950
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
18 mg/kg
TOXIC EFFECTS :
Behavioral - analgesia
REFERENCE :
APACAB Acta Physiologica Academiae Scientiarum Hungaricae. (Budapest, Hungary) V.1-60, 1950-82. Volume(issue)/page/year: 4,363,1953
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Parenteral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
6483 ug/kg
TOXIC EFFECTS :
Behavioral - analgesia
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 145,11,1964

 Synthetic Route

~42%

(6R)-6-(Dimethylamino)-4,4-diphenyl-3-heptanone hydrochloride (1: 1) Structure

(6R)-6-(Dimethy...

CAS#:5967-73-7

Literature: Hull, Jonathan D.; Scheinmann, Feodor; Turner, Nicholas J. Tetrahedron Asymmetry, 2003 , vol. 14, # 5 p. 567 - 576

~%

(6R)-6-(Dimethylamino)-4,4-diphenyl-3-heptanone hydrochloride (1: 1) Structure

(6R)-6-(Dimethy...

CAS#:5967-73-7

Literature: Somberg, John Charin; Ranade, Vasant V. Patent: US2010/10096 A1, 2010 ; Location in patent: Page/Page column 1 ;

~%

(6R)-6-(Dimethylamino)-4,4-diphenyl-3-heptanone hydrochloride (1: 1) Structure

(6R)-6-(Dimethy...

CAS#:5967-73-7

Literature: Hull, Jonathan D.; Scheinmann, Feodor; Turner, Nicholas J. Tetrahedron Asymmetry, 2003 , vol. 14, # 5 p. 567 - 576

 Synonyms

(-)-Mephobarbital
(R)-(6-dimethylamino-4,4-diphenylheptan-3-one) hydrochloride
UNII-5NC67NU76B component ALARQZQTBTVLJV-CYBMUJFWSA-N
(R)-6-dimethylamino-4,4-diphenyl-3-heptanone hydrochloride
(-)-Methylphenobarbital
(-)-Methadone hydrochloride
(6R)-methadone hydrochloride
(R)-Methylphenobarbital
(5S)-mephobarbital
2,4,6(1H,3H,5H)-Pyrimidinetrione,5-ethyl-1-methyl-5-phenyl-,(R)
(R)-(-)-mephobarbital
R-(-)-methadone hydrochloride
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