Basic information
- CAS
530-53-0- Standard SMILES
O=c1c2ccccc2nc2n1CCC2- InChIKey
VARHXCYGZKSOOO-UHFFFAOYSA-N- Molecular formula
- C11H10N2O
- Average molar mass
- 186.21 g/mol
- Monoisotopic mass
- 186.07931295
Overview
Deoxyvasicinone is a member of quinazolines.
Names & identifiers
- Preferred name
- Deoxyvasicinone
- IUPAC
- 2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
- English name
- 2,3-trimethylene-4-quinazolone
- Molecular formula
- C11H10N2O
- Molecular weight
- 186.21
Names & synonyms
Deoxyvasicinone530-53-02,3-Trimethylene-4-quinazolone2,3-Dihydro-1H-pyrrolo[2,1-b]quinazolin-9-oneDTXSID902010492,3-dihydro-1H-pyrrolo(2,1-b)quinazolin-9-oneRefChem:919894DTXCID401235402,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one1H,2H,3H,9H-pyrrolo[2,1-b]quinazolin-9-onePegenoneMFCD00247051
Show more names
Pyrrolo[2,1-b]quinazolin-9(1H)-one,2,3-dihydro-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one 2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one 2,3-Dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
CHEMBL456881Pyrrolo[2,1-b]quinazolin-9(1H)-one, 2,3-dihydro-3H-Quinazolin-4-one, 2,3-trimethyleno9-Oxodeoxypeganine; Deoxyvasicinone; NSC 159478Pyrrolo(2,1-b)quinazolin-9(1H)-one, 2,3-dihydro-DesoxyvasicinonVARHXCYGZKSOOO-UHFFFAOYSA-NNSC 159478
Database identifiers
- CAS
530-53-0- PubChem CID
- 68261
- DTXSID
DTXSID90201049- ChEMBL
CHEMBL456881- ChEBI
CHEBI:4435- EC Number
- 880-615-6
- Nikkaji
- J324.098C
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 298
Experimental & physicochemical properties
LogP1.07
Physicochemical properties
- Melting point
- 110 · 110-110.5 °C
- Boiling point
- 345.3 · 345.3±25.0 °C(Predicted)
- Density
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- solubility
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- form
- Powder
- pka
- 4.19 · 4.19±0.20(Predicted)
- color
- White to off-white
- InChI
- InChI=1S/C11H10N2O/c14-11-8-4-1-2-5-9(8)12-10-6-3-7-13(10)11/h1-2,4-5H,3,6-7H2
- InChIKey
- VARHXCYGZKSOOO-UHFFFAOYSA-N
- SMILES
- N1C2=C(C=CC=C2)C(=O)N2CCCC=12
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesDeoxyvasicinone is an alkaloid compound isolated from plants[1].
Upstream & downstream products
Downstream products
Suppliers49 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
VladaChem GmbH+49-7246-3082843 +86-18411632868 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
成都普思生物科技股份有限公司028-85370565-229 18080489829 · [email protected]
济南德迈医药科技有限公司18669728830 15806766175 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
云南西力生物技术股份有限公司0871-65217109 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海永叶生物科技有限公司86-021-61559134 15921386130 · [email protected]
ALB Technology Limited702-983-3769 · [email protected]
武汉天植生物技术有限公司18607101326 15172504745 · [email protected]
四川精萃天成药物科技有限公司028-87865381 18108190480 · [email protected]
上海萄普生物医药技术有限公司15900573766 18018507602 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
南京新瑞医药科技有限公司19850079587 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海澄绍生物科技有限公司021-61847300 13341622919 · [email protected]
上海睿升化工科技有限公司15026594951 · [email protected]
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江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
济南飞腾医药科技有限公司15589964716 · [email protected]
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上海博湖生物科技有限公司021-57763112 13585886131 · [email protected]
雷丁科技0510-85629785 18013409632 · [email protected]
上海莫奇生物科技有限公司13341702378 · [email protected]
四川百奥克睿生物科技有限公司28-86-28-8543-3893 13260669172 · [email protected]
湖北萃园生物科技有限公司18162795156 18162795156 · [email protected]
上海佰世凯生物科技有限公司021-20908456 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
上海研纯生物医药科技有限公司4001-009266 17349750668 · [email protected]
北京谱析科技有限公司400-808-7372 13161114455 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
上海抚生实业有限公司021-52961053 13524666654 · [email protected]
上海禾午生物科技有限公司021-57886085 17317861055 · [email protected]
天津睿池医药科技有限公司13752243191 · [email protected]
陕西奥博利辉新材料科技有限公司0917-18691729 18691729963 · [email protected]
Additional notes
DefinitionChEBI: Deoxyvasicinone is a member of quinazolines.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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