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Virstatin

Virstatin structure

CAS No:
88909-96-0
Formula:
C16H13NO4
Chemical Name:
Virstatin
Synonyms:
1H-Benz[de]isoquinoline-2(3H)-butanoic acid,1,3-dioxo-;1,3-Dioxo-1H-benz[de]isoquinoline-2(3H)-butanoic acid;Virstatin;ALX 430-147;4-(1,3-Dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoate;884230-35-7

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Virstatin Basic Attributes

Molecular Weight：

283.27900

Exact Mass：

283.28

UNII：

24SR2Q1Y6M

DSSTox ID：

DTXSID10237406

HScode：

2933990090

Characteristics

PSA：

76.37000

XLogP3：

1.81750

Density：

1.403g/cm3

Melting Point：

186-188 °C @ Solvent: Ethanol

Boiling Point：

536.5ºC

Flash Point：

278.3ºC

Refractive Index：

1.672

Water Solubility：

31.8 [ug/mL]

Collision Cross Section：

156.5 Å² [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]

Safety Information

GHS Classification：

|Warning|H400 (97.5%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]|P273, P391, and P501|Aggregated GHS information provided by 40 companies from 2 notifications to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

1h,3H-benzo(de)isoquinoline-2-butyric acid-1,3-dione

Computed Properties

Molecular Weight:283.28
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:283.08445790
Monoisotopic Mass:283.08445790
Topological Polar Surface Area:74.7
Heavy Atom Count:21
Complexity:431
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: aluminum phosphate; methyl ethyl ketoxime; isobutyl alcohol; sodium pentothal; formula nh3; chemical formula glycerol

Guide of Virstatin

Basic Attributes
Characteristics
Safety Information
Drug Information
Computed Properties

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