STREPTONIGRIN METHYL ESTER

Modify Date: 2025-08-23 19:56:54

STREPTONIGRIN METHYL ESTER Structure
STREPTONIGRIN METHYL ESTER structure
Common Name STREPTONIGRIN METHYL ESTER
CAS Number 3398-48-9 Molecular Weight 520.49100
Density 1.47g/cm3 Boiling Point 760.9ºC at 760 mmHg
Molecular Formula C26H24N4O8 Melting Point N/A
MSDS N/A Flash Point 413.9ºC

 Names

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
Synonym More Synonyms

 Chemical & Physical Properties

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
InChIKey HKZHTIOXLTVSKR-UHFFFAOYSA-N
SMILES COC(=O)c1nc(-c2ccc3c(n2)C(=O)C(N)=C(OC)C3=O)c(N)c(-c2ccc(OC)c(OC)c2O)c1C

 Toxicological Information

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

 Synthetic Route

 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)
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