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3398-48-9

3398-48-9 structure
3398-48-9 structure
  • Name: STREPTONIGRIN METHYL ESTER
  • Chemical Name: methyl (4Z)-5-amino-6-(7-amino-6-methoxy-5,8-dioxoquinolin-2-yl)-4-(4,5-dimethoxy-6-oxocyclohexa-2,4-dien-1-ylidene)-3-methyl-1H-pyridine-2-carboxylate
  • CAS Number: 3398-48-9
  • Molecular Formula: C26H24N4O8
  • Molecular Weight: 520.49100
  • Create Date: 2016-11-22 15:29:47
  • Modify Date: 2024-01-12 19:32:40

Name methyl (4Z)-5-amino-6-(7-amino-6-methoxy-5,8-dioxoquinolin-2-yl)-4-(4,5-dimethoxy-6-oxocyclohexa-2,4-dien-1-ylidene)-3-methyl-1H-pyridine-2-carboxylate
Synonyms STREPTONIGRIN METHYL ESTER
methyl 5-amino-6-(7-amino-6-methoxy-5,8-dioxo-5,8-dihydroquinolin-2-yl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methylpicolinate
Methyl ester streptonigrin
Methyl streptonigrin
MES (VAN)
Density 1.47g/cm3
Boiling Point 760.9ºC at 760 mmHg
Molecular Formula C26H24N4O8
Molecular Weight 520.49100
Flash Point 413.9ºC
Exact Mass 520.15900
PSA 186.18000
LogP 3.68780
Index of Refraction 1.666

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TJ7400000
CHEMICAL NAME :
Picolinic acid, 5-amino-6-(7-amino-5,8-dihydro-6-methoxy-5,8-dioxo-2- quinolyl)-4-(2-hydrox y- 3,4-dimethoxyphenyl)-3-methyl-, methyl ester
CAS REGISTRY NUMBER :
3398-48-9
LAST UPDATED :
199712
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C26-H24-N4-O8
MOLECULAR WEIGHT :
520.54
WISWESSER LINE NOTATION :
T66 BV EV GNJ CO1 DZ H- BT6NJ CZ DR BQ CO1 DO1& E1 FVO1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
88960 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NCISP* National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. (Bethesda, MD 20205) Volume(issue)/page/year: JAN1986 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
5 mg/kg
SEX/DURATION :
female 9 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - musculoskeletal system
REFERENCE :
CCROBU Cancer Chemotherapy Reports, Part 1. (Washington, DC) V.52(6)-59, 1968-75. For publisher information, see CTRRDO. Volume(issue)/page/year: 53,23,1969
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
10 mg/kg
SEX/DURATION :
female 9 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetal death
REFERENCE :
CCROBU Cancer Chemotherapy Reports, Part 1. (Washington, DC) V.52(6)-59, 1968-75. For publisher information, see CTRRDO. Volume(issue)/page/year: 53,23,1969