Basic information
- CAS
60560-33-0- Standard SMILES
CC(N=C(NC#N)Nc1ccncc1)C(C)(C)C- InChIKey
IVVNZDGDKPTYHK-UHFFFAOYSA-N- Molecular formula
- C13H19N5
- Average molar mass
- 245.32 g/mol
- Monoisotopic mass
- 245.16404563
Overview
1-cyano-2-(3,3-dimethylbutan-2-yl)-3-pyridin-4-ylguanidine is a member of pyridines.
Names & identifiers
- Preferred name
- Pinacidil anhydrous
- IUPAC
- 1-cyano-2-(3,3-dimethylbutan-2-yl)-3-pyridin-4-ylguanidine
- English name
- Pinacidil
- Molecular formula
- C13H19N5
- Molecular weight
- 245.32
Names & synonyms
Pinacidil anhydrousPinacidil [INN](+/-)-Pinacidil1-cyano-2-(3,3-dimethylbutan-2-yl)-3-pyridin-4-ylguanidine1-(3,3-Dimethylbutan-2-yl)-2-cyano-3-(pyridin-4-yl)guanidineGuanidine, N-cyano-N'-4-pyridinyl-N''-(1,2,2-trimethylpropyl)-CHEMBL1159MLS000069377P-1134(+-)-PinacidilSMR000058360Guanidine,N-cyano-N'-4-pyridinyl-N''-(1,2,2-trimethylpropyl)-, hydrate (1:1)
Show more names
p1134s-1230PindacPicacidil(R,S)-PinacidilpinacidilmonohydratePinacidil, 10 mM in DMSO2-Cyano-3-(4-pyridyl)-1-(1,2,2-trimethylpropyl)guanidineN-CYANO-N'-4-PYRIDINYL-N''-(1,2,2-TRIMETHYLPROPYL)GUANIDINE
P-1134;S-1230Pinacidilum [INN-Latin]P-154P 1134113563-69-21-cyano-3-(4-pyridyl)-2-(1,2,2-trimethylpropyl)guanidineSR-01000075340SR-05000001757
Database identifiers
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 73.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 327
Experimental & physicochemical properties
Collision Cross Section
165.2 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
163.39 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- Melting point
- 110 · 110-114℃
- Boiling point
- 378.29 °C · 378.29°C (rough estimate)
- Density
- 1.1402 · 1.1402 (rough estimate)
- refractive index
- 1.65 · 1.6500 (estimate)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 14 mg/mL · ethanol: 14 mg/mL
- form
- solid
- pka
- 7.36 · 7.36±0.10(Predicted)
- color
- white
- FDA UNII
- 4 UGO5K0D · BB4UGO5K0D
- Hazard Codes
- Xn
- Risk Statements
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
- wgk
- 3
- risk_code
- 22-36/37/38
- hazard_code
- Xn
- safety_code
- 36
Chemistry & industry
Applications
UsesAntihypertensive.
UsesPinacidil Monohydrate is a K+ channel opener, used to induce relaxation of serotonin-produced contractions in porcine and human arterial rings. Vasodilator. Antihypertensive agent.
Suppliers19 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
湖北魏氏化学试剂股份有限公司027-59102966 18717199209 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
湖北魏氏化学试剂股份有限公司17771898297 13125137661 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
Chongqing jooe co., ltd+86-15223382610 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
南通全益生物科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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