Yohimban-16-carboxylicacid,1-[2-(diethylamino)ethyl]-11,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]-,methyl ester, (3b,16b,17a,18b,20a)-

Modify Date: 2025-09-10 19:42:26

Yohimban-16-carboxylicacid,1-[2-(diethylamino)ethyl]-11,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]-,methyl ester, (3b,16b,17a,18b,20a)- structure	Common Name	Yohimban-16-carboxylicacid,1-[2-(diethylamino)ethyl]-11,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]-,methyl ester, (3b,16b,17a,18b,20a)-
	CAS Number	53-18-9	Molecular Weight	707.85300
	Density	1.27g/cm3	Boiling Point	752.6ºC at 760mmHg
	Molecular Formula	C₃₉H₅₃N₃O₉	Melting Point	N/A
	MSDS	N/A	Flash Point	409ºC

Name	bietaserpine
Synonym	More Synonyms

Density	1.27g/cm3
Boiling Point	752.6ºC at 760mmHg
Molecular Formula	C₃₉H₅₃N₃O₉
Molecular Weight	707.85300
Flash Point	409ºC
Exact Mass	707.37800
PSA	110.16000
LogP	4.92420
Index of Refraction	1.598
InChIKey	WFTSRDISOMSAQC-ZNFOTRSXSA-N
SMILES	CCN(CC)CCn1c2c(c3ccc(OC)cc31)CCN1CC3CC(OC(=O)c4cc(OC)c(OC)c(OC)c4)C(OC)C(C(=O)OC)C3CC21

CHEMICAL IDENTIFICATION

RTECS NUMBER :: ZF9380000

CHEMICAL NAME :: 3-beta,20-alpha-Yohimban-16-beta-carboxylic acid, 1-(2-(diethylamino)ethyl)-18-beta-hydroxy- 11,17-alpha-dimethoxy-, methyl ester, 3,4,5-trimethoxybenzoate (ester)

CAS REGISTRY NUMBER :: 53-18-9

LAST UPDATED :: 199709

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C39-H53-N3-O9

MOLECULAR WEIGHT :: 707.95

WISWESSER LINE NOTATION :: T F6 D5 C666 EN ON&&TTTJ E2N2&2 HO1 SOVR CO1 DO1 EO1& TO1 UVO1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 120 mg/kg

SEX/DURATION :: female 7-12 day(s) after conception

TOXIC EFFECTS :: Reproductive - Specific Developmental Abnormalities - musculoskeletal system

REFERENCE :: KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 4,2937,1970

S-1210

Diethylaminoreserpine

DL-152

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