Yohimban-16-carboxylic acid, 11,17-dimethoxy-18-((tetrahydro-2H-pyran-2-yl)oxy)-, methyl ester, (3beta,16beta,17alpha,18beta,20alpha)- (9CI)

Modify Date: 2024-04-09 18:00:44

Yohimban-16-carboxylic acid, 11,17-dimethoxy-18-((tetrahydro-2H-pyran-2-yl)oxy)-, methyl ester, (3beta,16beta,17alpha,18beta,20alpha)- (9CI) structure	Common Name	Yohimban-16-carboxylic acid, 11,17-dimethoxy-18-((tetrahydro-2H-pyran-2-yl)oxy)-, methyl ester, (3beta,16beta,17alpha,18beta,20alpha)- (9CI)
	CAS Number	751-73-5	Molecular Weight	498.61100
	Density	1.27g/cm3	Boiling Point	638.9ºC at 760 mmHg
	Molecular Formula	C₂₈H₃₈N₂O₆	Melting Point	N/A
	MSDS	N/A	Flash Point	340.2ºC

Name	Yohimban-16-carboxylic acid, 11,17-dimethoxy-18-((tetrahydro-2H-pyran-2-yl)oxy)-, methyl ester, (3beta,16beta,17alpha,18beta,20alpha)- (9CI)
Synonym	More Synonyms

Density	1.27g/cm3
Boiling Point	638.9ºC at 760 mmHg
Molecular Formula	C₂₈H₃₈N₂O₆
Molecular Weight	498.61100
Flash Point	340.2ºC
Exact Mass	498.27300
PSA	82.25000
LogP	3.76940
Index of Refraction	1.608

CHEMICAL IDENTIFICATION

RTECS NUMBER :: ZF9800000

CHEMICAL NAME :: 3-beta,20-alpha-Yohimban-16-beta-carboxylic acid, 11-alpha,17-alpha-dimethoxy-18-beta- (tetrahydro-2-pyranyloxy)-, methyl ester

CAS REGISTRY NUMBER :: 751-73-5

LAST UPDATED :: 199012

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C28-H38-N2-O6

MOLECULAR WEIGHT :: 498.68

WISWESSER LINE NOTATION :: T F6 D5 C666 EM ON&&TTTJ HO1 TO1 UVO1 SO- BT6OTJ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 173 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: 27ZQAG "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972 Volume(issue)/page/year: -,112,1972

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 7 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: 27ZQAG "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972 Volume(issue)/page/year: -,112,1972

11,17-dimethoxy-18-tetrahydropyran-2-yloxy-yohimbane-16-carboxylic acid methyl ester

Su-7064