Basic information
- CAS
6159-56-4- Standard SMILES
OC1CCN2Cc3ccccc3N=C12- InChIKey
YIICVSCAKJMMDJ-UHFFFAOYSA-N- Molecular formula
- C11H12N2O
- Average molar mass
- 188.23 g/mol
- Monoisotopic mass
- 188.09496301
Overview
1,2,3,9-Tetrahydropyrrolo[2,1-b]quinazolin-3-ol is a member of quinazolines.
Names & identifiers
- Preferred name
- 1,2,3,9-Tetrahydropyrrolo[2,1-b]quinazolin-3-ol
- IUPAC
- 1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-ol
- English name
- Peganine
- Molecular formula
- C11H12N2O
- Molecular weight
- 188.23
Names & synonyms
6159-56-41,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-ol(+/-)-VasicineVasicine, dl-l-PeganineDL-PeganineDL-VasicineVasicine (Peganine)Vasicine, (+/-)-()-asicine(+/-)-Peganine1H,2H,3H,9H-PYRROLO[2,1-B]QUINAZOLIN-3-OL
Show more names
(¨¤)-Vasici(±)-VasicineVasicine (20 mg)(±)-Vasicine, CAS 6159-56-4Pyrrolo[2,1-b]quinazolin-3-ol, 1,2,3,9-tetrahydro-
Peganine (hydrochloride)( inverted exclamation markA)-Vasicine0VFV53RMC2CHEMBL11865271,2,3,9-Tetrahydropyrrolo(2,1-b)quinazolin-3-olNSC685523NSC28595Peganine, (+/-)
Database identifiers
- CAS
6159-56-4- PubChem CID
- 72610
- DTXSID
DTXSID701317988- ChEMBL
CHEMBL1186527- ChEBI
CHEBI:181180- UNII
- 0VFV53RMC2
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 35.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 264
Physicochemical properties
- Melting point
- 211 °C · 211 °C
- Boiling point
- 373.8 · 373.8±52.0 °C(Predicted)
- Density
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- pka
- 13.08 · 13.08±0.20(Predicted)
- form
- Solid
- color
- White to off-white
- FDA UNII
- 0 VFV53RMC2 · 0VFV53RMC2
- HS Code
- 2939800000 · 2939800000
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
- hs_code
- 2939800000
Chemistry & industry
Applications
Uses(±)-Vasicine (peganine) is a quinazoline alkaloid isolated from nature. It can be used for the preparation of Vicinal Tricarbonyls and cyano analogs as electrophilic participants in forming pharmacophoric templates for drug discovery.
Suppliers27 total
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
成都普思生物科技股份有限公司028-85370565-229 18080489829 · [email protected]
銳迪國際科技有限公司18024082417 · [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]
杭州杰恒化工有限公司0571-87396432 · [email protected]
陕西缔都医药化工有限公司+86-29-87569262 +86-15003564040 · [email protected]
合肥纳禾生物科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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