Basic information
- CAS
102646-55-9- Standard SMILES
Cn1c(=O)c2ncnnc2n(C)c1=O- InChIKey
RRTKVYSLIGQWCO-UHFFFAOYSA-N- Molecular formula
- C7H7N5O2
- Average molar mass
- 193.16 g/mol
- Monoisotopic mass
- 193.05997448
Overview
Fervenulin is a 9,11,15-octadecatrienoic acid.
Names & identifiers
- Preferred name
- 6,8-Dimethylpyrimido(5,4-e)-1,2,4-triazine-5,7(6H,8H)-dione
- IUPAC
- 6,8-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
- English name
- fervenulin
- Molecular formula
- C7H7N5O2
- Molecular weight
- 193.16
Names & synonyms
FervenulinPlanomycin483-57-8Fervenuline6,8-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione1LVQ80W0BMNSC-68158Pyrimido(5,4-e)-as-triazine-5,7(6H,8H)-dione, 6,8-dimethyl-6,8-Dimethylpyrimido[5,4-E]-1,2,4-triazine-5,7(6H,8H)-dioneU 71186,8-dimethylpyrimido(5,4-e)(1,2,4)triazine-5,7-dione6,8-Dimethylpyrimido(5,4-e)-1,2,4-triazine-5,7(6H,8H)-dione
Show more names
Ai3-50812Antibiotic 10204-BII
RefChem:599173PulanomycinCompound 7215KC 1017U-7118FH-3582-A10204-BiiNSC68158
Database identifiers
- CAS
102646-55-9、483-57-8- PubChem CID
- 249646
- DTXSID
DTXSID601032309- ChEBI
CHEBI:201828- UNII
- 1LVQ80W0BM
- EC Number
- 809-249-7
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 79.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 281
Physicochemical properties
- Melting point
- 178 · 178-179°
- Boiling point
- 329.37 °C · 329.37°C (rough estimate)
- Density
- 1.4225 · 1.4225 (rough estimate)
- refractive index
- 1.8 · 1.8000 (estimate)
- storage temp.
- -20 °C · -20°C
- pka
- -1.42 · -1.42±0.20(Predicted)
- form
- A solid
- color
- Light yellow to yellow
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 1 LVQ80W0BM · 1LVQ80W0BM
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
- Toxicity
- 50 intraperitoneal · LD50 intraperitoneal in hamster: 11200ug/kg
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Toxicity
- LD50 intraperitoneal in hamster: 11200ug/kg
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
UsesFervenulin has nematicidal activity and inhibits egg hatch and J2 mortality of M. incognita with MICs of 30 μg/mL and 120 μg/mL, respectively[1].
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers13 total
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
上海维亦特生物科技有限公司15317051735 · [email protected]
ChemeGen 中国18818260767 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海贺康生物技术有限公司17721021104 18939837085 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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