CAS 3952-78-1|alizarin complexone

Introduction:Basic information about CAS 3952-78-1|alizarin complexone, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common Namealizarin complexone
CAS Number3952-78-1Molecular Weight385.324
Density1.6±0.1 g/cm3Boiling Point687.1±55.0 °C at 760 mmHg
Molecular FormulaC19H15NO8Melting Point~185 °C (dec.)
MSDSChineseUSAFlash Point369.4±31.5 °C

Names

Namealizarin complexone
SynonymMore Synonyms

alizarin complexone BiologicalActivity

DescriptionAlizarin complexone is a calcium-tracer and a chelating agent. Alizarin complexone is Rous-associated virus 2 reverse transcriptase (RAV-2 RT) inhibitor[1][2].
Related CatalogResearch Areas >>InfectionSignaling Pathways >>Anti-infection >>Reverse Transcriptase
References

[1]. Higuchi H, et al. Antiretroviral activities of anthraquinones and their inhibitory effects on reverse transcriptase. Antiviral Res. 1991;15(3):205-216.

[2]. Oshima T, et al. Selective extraction of histidine derivatives by metal affinity with a copper(II)-chelating ligand complex in an aqueous two-phase system. J Chromatogr B Analyt Technol Biomed Life Sci. 2015;990:73-79.

Chemical & Physical Properties

Density1.6±0.1 g/cm3
Boiling Point687.1±55.0 °C at 760 mmHg
Melting Point~185 °C (dec.)
Molecular FormulaC19H15NO8
Molecular Weight385.324
Flash Point369.4±31.5 °C
Exact Mass385.079773
PSA152.44000
LogP3.38
Vapour Pressure0.0±2.2 mmHg at 25°C
Index of Refraction1.720
InChIKeyPWIGYBONXWGOQE-UHFFFAOYSA-N
SMILESO=C(O)CN(CC(=O)O)Cc1cc2c(c(O)c1O)C(=O)c1ccccc1C2=O
StabilityIncompatible with strong oxidizing agents.
Water SolubilitySlightly soluble (0.2 g/L)

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AH0585000
CHEMICAL NAME :
Acetic acid, (((3,4-dihydroxy-2-anthraquinonyl)methyl)imino)di-
CAS REGISTRY NUMBER :
3952-78-1
BEILSTEIN REFERENCE NO. :
2190028
LAST UPDATED :
199701
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C19-H15-N-O8

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
170 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
EXPEAM Experientia. (Birkhaeuser Verlag, POB 133, CH-4010 Basel, Switzerland) V.1- 1945- Volume(issue)/page/year: 28,180,1972

Safety Information

Personal Protective EquipmentEyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
Hazard CodesXi
Risk PhrasesR36/37/38
Safety PhrasesS24/25
RIDADRNONH for all modes of transport
WGK Germany3
RTECSAH0585000
HS Code2922509090

Customs

HS Code2922509090
Summary2922509090. other amino-alcohol-phenols, amino-acid-phenols and other amino-compounds with oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

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Synonyms

2-[carboxymethyl-[(3,4-dihydroxy-9,10-dioxoanthracen-2-yl)methyl]amino]acetic acid
Alizarin-3-methylimino-N,N-diacetic Acid
Glycine, N-(carboxymethyl)-N-[(9,10-dihydro-3,4-dihydroxy-9,10-dioxo-2-anthracenyl)methyl]-
Alizarin-3-methyliminodiacetic acid
3,4-Dihydroxyanthraquinon-2-yl-methylimino-diacetic acid
EINECS 223-544-2
MFCD00001202
Alizarin complexone
1,2-Dihydroxyanthraquinonyl-3-methylamine-N,N-diacetic Acid
2,2'-{[(3,4-Dihydroxy-9,10-dioxo-9,10-dihydro-2-anthracenyl)methyl]imino}diacetic acid
2,2'-{[(3,4-Dihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)methyl]imino}diacetic acid
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