130-90-5

130-90-5 structure
130-90-5 structure
  • Name: quinine formate
  • Chemical Name: (R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol,formic acid
  • CAS Number: 130-90-5
  • Molecular Formula: C21H26N2O4
  • Molecular Weight: 370.44200
  • Create Date: 2018-07-21 18:45:11
  • Modify Date: 2024-01-11 17:02:21

Name (R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol,formic acid
Synonyms Chinin,Formiat
Quinine formate
EINECS 205-002-7
Density 1.21g/cm3
Boiling Point 495.9ºC at 760mmHg
Molecular Formula C21H26N2O4
Molecular Weight 370.44200
Flash Point 253.7ºC
Exact Mass 370.18900
PSA 82.89000
LogP 3.44780
Vapour Pressure 1.19E-10mmHg at 25°C

CHEMICAL IDENTIFICATION

RTECS NUMBER :
VA6740000
CHEMICAL NAME :
Quinine, formate (salt)
CAS REGISTRY NUMBER :
130-90-5
LAST UPDATED :
199106
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C20-H24-N2-O2.C-H2-O2
MOLECULAR WEIGHT :
370.49
WISWESSER LINE NOTATION :
T66 BNJ HO1 EYOVH- DT66 A B CNTJ A1U1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intramuscular
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
290 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
THERAP Therapie. (Doin, Editeurs, 8, Place de l'Odeon, F-75006 Paris, France) V.1- 1946- Volume(issue)/page/year: 26,563,1971 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intramuscular
DOSE :
450 mg/kg
SEX/DURATION :
female 18-47 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants)
REFERENCE :
THERAP Therapie. (Doin, Editeurs, 8, Place de l'Odeon, F-75006 Paris, France) V.1- 1946- Volume(issue)/page/year: 26,563,1971
Hazard Codes Xi
Risk Phrases 36/37/38
Safety Phrases S26;S36
RIDADR UN 1544
Packaging Group III
Hazard Class 6.1(b)