(3S,4S,6S)-1-benzyl-4-ethynyl-3-methyl-6-phenylpiperidine-3,4-diol

Modify Date: 2024-02-05 07:43:03

(3S,4S,6S)-1-benzyl-4-ethynyl-3-methyl-6-phenylpiperidine-3,4-diol structure	Common Name	(3S,4S,6S)-1-benzyl-4-ethynyl-3-methyl-6-phenylpiperidine-3,4-diol
	CAS Number	84714-87-4	Molecular Weight	321.41300
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₂₁H₂₃NO₂	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A

Name	(3S,4S,6S)-1-benzyl-4-ethynyl-3-methyl-6-phenylpiperidine-3,4-diol
Synonym	More Synonyms

Molecular Formula	C₂₁H₂₃NO₂
Molecular Weight	321.41300
Exact Mass	321.17300
PSA	43.70000
LogP	2.68680
InChIKey	KQOZLDIEEPSDIQ-PCCBWWKXSA-N
SMILES	C#CC1(O)CC(c2ccccc2)N(Cc2ccccc2)CC1(C)O

CHEMICAL IDENTIFICATION

RTECS NUMBER :: TM7340300

CHEMICAL NAME :: 3,4-Piperidinediol, 4-ethynyl-3-methyl-6-phenyl-1-(phenylmethyl)-, (3-alpha,4-alpha,6-beta)-

CAS REGISTRY NUMBER :: 84714-87-4

LAST UPDATED :: 199112

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C21-H23-N-O2

MOLECULAR WEIGHT :: 321.45

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 38600 ug/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - other changes

REFERENCE :: KHFZAN Khimiko-Farmatsevticheskii Zhurnal. Chemical Pharmaceutical Journal. For English translation, see PCJOAU. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1967- Volume(issue)/page/year: 23,178,1989

3a,4e-Dihydroxy-1-benzyl-3e-methyl-6e-phenyl-4a-ethynylpiperidine

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