CAS 125-58-6|(6R)-6-(dimethylamino)-4,4-diphenylheptan-3-one

Introduction:Basic information about CAS 125-58-6|(6R)-6-(dimethylamino)-4,4-diphenylheptan-3-one, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common Name(6R)-6-(dimethylamino)-4,4-diphenylheptan-3-one
CAS Number125-58-6Molecular Weight309.44500
Density1.009g/cm3Boiling Point423.7ºC at 760mmHg
Molecular FormulaC21H27NOMelting Point99-100ºC
MSDS/Flash Point126.5ºC

Names

Name(6R)-6-(dimethylamino)-4,4-diphenylheptan-3-one
SynonymMore Synonyms

Chemical & Physical Properties

Density1.009g/cm3
Boiling Point423.7ºC at 760mmHg
Melting Point99-100ºC
Molecular FormulaC21H27NO
Molecular Weight309.44500
Flash Point126.5ºC
Exact Mass309.20900
PSA20.31000
LogP4.29200
Vapour Pressure2.2E-07mmHg at 25°C
Index of Refraction1.538
InChIKeyUSSIQXCVUWKGNF-QGZVFWFLSA-N
SMILESCCC(=O)C(CC(C)N(C)C)(c1ccccc1)c1ccccc1

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MJ5990000
CHEMICAL NAME :
3-Heptanone, 6-(dimethylamino)-4,4-diphenyl-, L-
CAS REGISTRY NUMBER :
125-58-6
BEILSTEIN REFERENCE NO. :
3213668
LAST UPDATED :
199612
DATA ITEMS CITED :
6
MOLECULAR FORMULA :
C21-H27-N-O
MOLECULAR WEIGHT :
309.49
WISWESSER LINE NOTATION :
2VXR&R&1Y1&N1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
97 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
32 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
26500 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
1600 ug/kg
SEX/DURATION :
male 1 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Paternal Effects - other effects on male

MUTATION DATA

TYPE OF TEST :
Mutation test systems - not otherwise specified
TEST SYSTEM :
Rodent - rat Testis
DOSE/DURATION :
50 umol/L
REFERENCE :
BCPCA6 Biochemical Pharmacology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.1- 1958- Volume(issue)/page/year: 27,123,1978

Safety Information

HS Code2922399090

Customs

HS Code2922399090
Summary2922399090 other amino-aldehydes, amino-ketones and amino-quinones, other than those containing more than one kind of oxygen function; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

Synonyms

Levothyl
Levadone
l-Polamivet
Polamivet
l-methadone
L-Polamidon
Levomethadone
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