Completing data — usually done within a minute
Basic information
- CAS
99-23-0- Standard SMILES
O=C(O)c1cc(O)c(O)c(O)c(=O)c1- InChIKey
RRDGXYZZWSIADF-UHFFFAOYSA-N- Molecular formula
- C8H6O6
- Average molar mass
- 198.13 g/mol
- Monoisotopic mass
- 198.01643791
Names & identifiers
- Preferred name
- Puberulic Acid
- IUPAC
- 3,4,6-Trihydroxy-5-oxocyclohepta-1,3,6-triene-1-carboxylic acid
- English name
- PUBERULICACID
- Molecular formula
- C8H6O6
- Molecular weight
- 198.13
Names & synonyms
PUBERULICACIDPuberulic acid ⅡPuberulic acid in MethanolPuberulic acid / Puberlic acidPuberulic acid Standard Solution 100μg/mL3,4,6-Trihydroxy-5-oxocyclohepta-1,3,6-triene-1-carboxylic acid3,4,6-Trihydroxy-5-oxo-1,3,6-cycloheptatriene-1-carboxylic acid1,3,6-Cycloheptatriene-1-carboxylic acid, 3,4,6-trihydroxy-5-oxo-
Database identifiers
- CAS
99-23-0- PubChem CID
- 592860
- DTXSID
DTXSID70879321- ChEMBL
CHEMBL3588897- UNII
- 456JC9FRVK
- EC Number
- 186-698-9
- Nikkaji
- J11.620C、J3.533.327D
Properties
Physicochemical properties
- Melting point
- 316 · 316-318°
- Boiling point
- 233.9 · 233.9±40.0 °C(Predicted)
- Density
- 2.069 · 2.069±0.06 g/cm3(Predicted)
- pka
- 3.16 · 3.16±0.20(Predicted)
- InChI
- InChI=1S/C8H6O6/c9-4-1-3(8(13)14)2-5(10)7(12)6(4)11/h1-2H,(H,13,14)(H3,9,10,11,12)
- InChIKey
- RRDGXYZZWSIADF-UHFFFAOYSA-N
- SMILES
- C1(C(O)=O)C=C(O)C(=O)C(O)=C(O)C=1
- FDA UNII
- 456 JC9FRVK · 456JC9FRVK
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesPuberulic acid Ⅰ possesses anti-malarial activity with an IC50 value of 0.050μM against Plasmodium falciparum K1 (chloroquine-resistant)[1].
Suppliers23 total
成都健腾生物技术有限公司028-85159085 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
成都大道三灵生物科技有限公司18108108965 18108108965 · [email protected]
湖北扬信医药科技有限公司07143299675 13092790750 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
Related reactions
2 records
Compound notes
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