Basic information
- CAS
17210-51-4- Standard SMILES
Br.COC(=O)C1=CCCNC1- InChIKey
DOXOETUWVNVADB-UHFFFAOYSA-N- Molecular formula
- C7H12BrNO2
- Average molar mass
- 222.08 g/mol
- Monoisotopic mass
- 221.00514072
Names & identifiers
- Preferred name
- Guvacoline Hydrobromide
- IUPAC
- methyl 1,2,3,6-tetrahydropyridine-5-carboxylate;hydrobromide
- English name
- Guvacoline Hydrobromide
- Molecular formula
- C7H12BrNO2
- Molecular weight
- 222.07968
Names & synonyms
Guvacoline Hydrobromide17210-51-4Guvacoline (hydrobromide)methyl 1,2,3,6-tetrahydropyridine-5-carboxylate;hydrobromideDTXSID20574157Methyl 1,2,5,6-tetrahydropyridine-3-carboxylate--hydrogen bromide (1/1)MFCD02683335Guvacoline (hydrobromide?)orb3137051SCHEMBL8872254DOXOETUWVNVADB-UHFFFAOYSA-NDA-63972
Show more names
1,2,5,6-Tetrahydro-3-pyridinecarboxylic Acid Methyl Ester HydrobroMide1,2,5,6-tetrahydro-3-pyridinecarboxylic acid, methyl ester, monohydrobromide
HY-116490CS-0065632H60901T21725METHYL 1,2,5,6-TETRAHYDROPYRIDINE-3-CARBOXYLATE HYDROBROMIDE1,2,5,6-tetrahydropyridine-3-carboxylic acid methyl ester hydrobromideNorarecoline; 1,2,5,6-tetrahydro-3-pyridinecarboxylic acid, methyl ester, monohydrobromide
Database identifiers
- CAS
17210-51-4- PubChem CID
- 15560296
- DTXSID
DTXSID20574157
Properties
Computed structural properties
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 163
Physicochemical properties
- Melting point
- 144 °C · 144°C
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- 1 mg/ml · ≤1mg/ml in DMSO;1mg/ml in dimethyl formamide
- form
- crystalline solid
- InChI
- InChI=1S/C7H11NO2.BrH/c1-10-7(9)6-3-2-4-8-5-6;/h3,8H,2,4-5H2,1H3;1H
- InChIKey
- DOXOETUWVNVADB-UHFFFAOYSA-N
- SMILES
- C1C=C(C(OC)=O)CNC1.Br
Chemistry & industry
Applications
UsesA muscarinic receptor used as nootropic agent.
Suppliers19 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
成都仪睿生物科技有限公司18224028459 18224028459 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]
成都仪捷睿生物科技有限公司18224018291 18224018291 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
四川精萃天成药物科技有限公司028-87865381 18108190480 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
Related reactions
14 records
Compound notes
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