5967-73-7

5967-73-7 structure

Name: (6R)-6-(Dimethylamino)-4,4-diphenyl-3-heptanone hydrochloride (1: 1)
Chemical Name: (6R)-6-(Dimethylamino)-4,4-diphenyl-3-heptanone hydrochloride (1: 1)
CAS Number: 5967-73-7
Molecular Formula: C₂₁H₂₈ClNO
Molecular Weight: 345.90600
Create Date: 2018-08-02 11:14:11
Modify Date: 2024-01-23 18:31:25

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

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

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

7576-16-1

925-90-6

~42%

5967-73-7

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

1095-90-5

15284-15-8

5967-73-7

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

86-29-3

5967-73-7

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

Precursor 4
7576-16-1 925-90-6 1095-90-5 86-29-3
DownStream 0

1158522-08-7	940364-43-2
134104-43-1	131615-57-1
6906-52-1	930439-75-1
1018584-77-4	2548989-55-3
2229376-87-6	1375289-11-4