CAS 6159-55-3|vasicine

Introduction：Basic information about CAS 6159-55-3|vasicine, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. vasicine BiologicalActivity
3. Chemical & Physical Properties
4. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
5. Safety Information
6. Customs
7. Articles25
8. Synonyms

Common Name	vasicine
CAS Number	6159-55-3	Molecular Weight	188.226
Density	1.1124	Boiling Point	373.8±52.0 °C at 760 mmHg
Molecular Formula	C₁₁H₁₂N₂O	Melting Point	211.5°C
MSDS	ChineseUSA	Flash Point	179.9±30.7 °C
Symbol	GHS07	Signal Word	Warning

Names

Name	vasicine
Synonym	More Synonyms

vasicine BiologicalActivity

Description	Vasicine (peganine) is a quinazoline alkaloid isolated from Justicia adhatoda. Vasicine (peganine) possesses anti- tuberculosis activity[1].
Related Catalog	Signaling Pathways >>Others >>Others
References	[1]. Grange JM, et al. Activity of bromhexine and ambroxol, semi-synthetic derivatives of vasicine from the Indian shrub Adhatoda vasica, against Mycobacterium tuberculosis in vitro. J Ethnopharmacol. 1996 Jan;50(1):49-53.

Chemical & Physical Properties

Density	1.1124
Boiling Point	373.8±52.0 °C at 760 mmHg
Melting Point	211.5°C
Molecular Formula	C₁₁H₁₂N₂O
Molecular Weight	188.226
Flash Point	179.9±30.7 °C
Exact Mass	188.094955
PSA	35.83000
LogP	-1.00
Vapour Pressure	0.0±0.9 mmHg at 25°C
Index of Refraction	1.5850
InChIKey	YIICVSCAKJMMDJ-JTQLQIEISA-N
SMILES	OC1CCN2Cc3ccccc3N=C12

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UY9454000

CHEMICAL NAME :: Pyrrolo(2,1-b)quinazolin-3-ol, 1,2,3,9-tetrahydro-

CAS REGISTRY NUMBER :: 6159-55-3

LAST UPDATED :: 199510

DATA ITEMS CITED :: 5

MOLECULAR FORMULA :: C11-H10-N2-O

MOLECULAR WEIGHT :: 186.23

WISWESSER LINE NOTATION :: T C566 BN DV GN HHT&&J

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 :: 79 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: IJMRAQ Indian Journal of Medical Research. (Indian Council of Medical Research, Ansari Nagar, New Delhi 110 029, India) V.1- 1913- Volume(issue)/page/year: 66,680,1977

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 79 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: PHTXA6 Pharmacology and Toxicology. English translation of FATOAO. (New York, NY) V.20-22, 1957-59. Discontinued. Volume(issue)/page/year: 22,67,1959

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Mammal - cat

DOSE/DURATION :: 100 mg/kg

TOXIC EFFECTS :: Behavioral - excitement Gastrointestinal - nausea or vomiting Lungs, Thorax, or Respiration - dyspnea

REFERENCE :: PHTXA6 Pharmacology and Toxicology. English translation of FATOAO. (New York, NY) V.20-22, 1957-59. Discontinued. Volume(issue)/page/year: 22,67,1959

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 75 mg/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold Behavioral - ataxia Lungs, Thorax, or Respiration - respiratory depression

REFERENCE :: PHTXA6 Pharmacology and Toxicology. English translation of FATOAO. (New York, NY) V.20-22, 1957-59. Discontinued. Volume(issue)/page/year: 22,67,1959 ** REPRODUCTIVE DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Intraperitoneal

DOSE :: 150 mg/kg

SEX/DURATION :: female 56-60 day(s) after conception

TOXIC EFFECTS :: Reproductive - Fertility - abortion

REFERENCE :: IJEBA6 Indian Journal of Experimental Biology. (Publications & Information Directorate, CSIR, Hillside Rd., New Delhi 110 012, India) V.1- 1963- Volume(issue)/page/year: 16,1075,1978

Safety Information

Symbol	GHS07
Signal Word	Warning
Hazard Statements	H302
Hazard Codes	Xn
Risk Phrases	22
RIDADR	UN 1544
Packaging Group	III
Hazard Class	6.1(b)
HS Code	2933990090

Customs

HS Code	2933990090
Summary	2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Articles25

Potentiation of oxytocin evoked responses by (+) sotalol deoxysotalol and Vasicine HCl on isolated rat and rabbit uterus.

Indian J. Med. Res. 76 Suppl , 107-14, (1982)

Natural products as templates for bioactive compound libraries: part 2. Novel modifications of vasicine (peganine) core via efficient and regioselective generation of 3-lithiodeoxyvasicine and its stereoselective addition to aliphatic ketones section sign.

Nat. Prod. Res. 20(9) , 871-81, (2006)

A general procedure for direct lithiation of deoxyvasicine was developed. 3-Lithiodeoxyvasicine intermediate was found to react with various aliphatic ketones providing derivatives of 3-(hydroxyalkyl)...

Formulation and pharmacokinetic evaluation of hard gelatin capsule encapsulating lyophilized Vasa Swaras for improved stability and oral bioavailability of vasicine.

Fitoterapia 82(3) , 446-53, (2011)

The oral bioavailability of vasicine (1) was investigated in hard gelatin capsules of lyophilized Vasa Swaras (aqueous extract of Adhatoda vasica Nees.,Fam.: Acanthaceae) The rat pharmacokinetic profi...

Synonyms

Pyrrolo[2,1-b]quinazolin-3-ol, 1,2,3,9-tetrahydro-, (3R)-

Pyrrolo(2,1-b)quinazolin-3-ol, 1,2,3,9-tetrahydro-

(R)-1,2,3,9-Tetrahydropyrrolo(2,1-b)quinazolin-3-ol

1,2,3,9-Tetrahydropyrrolo[2,1-b]quinazolin-3-ol

peganine

(3R)-1,2,3,9-Tetrahydropyrrolo[2,1-b]quinazolin-3-ol

Pyrrolo[2,1-b]quinazolin-3-ol, 1,2,3,9-tetrahydro-

vasicin

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