Compound: phenylbiguanide
SMILES: N=C(Nc1ccccc1)NC(=N)N
InChIKey: CUQCMXFWIMOWRP-UHFFFAOYSA-N
Synonyms: phenylbiguanide, 1-Phenylbiguanide, 102-02-3, Phenyl biguanide, Phenyldiguanide, phenyl diguanide, Imidodicarbonimidic diamide, N-phenyl-, N-Phenyl-N'-guanylguanidine, N-phenylimidodicarbonimidic diamide, 1-(diaminomethylidene)-2-phenylguanidine, W8PKA3T2I3, DTXSID90144508, CHEBI:75377, RefChem:172948, DTXCID6066999, 202-998-5, Phenylguanide, MFCD00179077, BIGUANIDE, 1-PHENYL-, 1-carbamimidamido-N-phenylmethanimidamide, CHEMBL13791, Biguanide, phenyl-, N-phenylbiguanide, N-Phenyl-imidocarbonimidic diamide, N-Phenyliminodicarbonimidic Diamide, EINECS 202-998-5, UNII-W8PKA3T2I3, SR-01000075565, P 1426, N'-phenylbiguanide, Spectrum_000472, Spectrum_001460, Tocris-0969, Lopac-P-120, Spectrum2_001190, Spectrum3_001604, Spectrum4_000058, Spectrum4_000320, Spectrum5_001179, 1-Phenylbiguanide, 98%, Biomol-NT_000139, NCIOpen2_007801, NCIOpen2_008753, Lopac0_000987, BSPBio_003207, KBioGR_000555, KBioGR_000940, KBioGR_002359, KBioSS_000952, KBioSS_001940, KBioSS_002362, MLS002153449, DivK1c_000282, DivK1c_000749, PHENYL BIGUANIDE [MI], SCHEMBL467623, SPBio_001239, BPBio1_000156, GTPL2284, orb1300038, SCHEMBL4100253, SCHEMBL4100255, SCHEMBL13919685, SCHEMBL19038542, SCHEMBL30226327, BCBcMAP01_000062, HMS500O04, KBio1_000282, KBio1_000749, KBio2_000952, KBio2_001940, KBio2_002359, KBio2_003520, KBio2_004508, KBio2_004927, KBio2_006088, KBio2_007076, KBio2_007495, KBio3_002427, KBio3_002838, N-Phenyltriimidodicarbonic diamide, cMAP_000031, NINDS_000282, NINDS_000749, HMS3043D24, HMS3263E15, 1-carbamimidoyl-3-phenyl-guanidine, Tox21_500987, BDBM50053596, EBC-44030, HB2831, N -Phenylimidodicarbonimidic diamide;, STK110224, AKOS002225097, AKOS021982884, N-diaminomethylene-N''-phenylguanidine, CCG-205067, LP00987, SDCCGSBI-0050960.P004, IDI1_000282, IDI1_000749, SMP1_000237, 1-(diaminomethylene)-2-phenyl-guanidine, NCGC00015783-01, NCGC00015783-02, NCGC00015783-03, NCGC00015783-04, NCGC00015783-05, NCGC00015783-06, NCGC00015783-08, NCGC00015783-10, NCGC00024909-01, NCGC00024909-02, NCGC00024909-03, NCGC00024909-04, NCGC00261672-01, AS-63602, Br J Pharmacol 90: 229 (1987), SMR000434198, SY053837, amino[imino(phenylamino)methyl]carboxamidine, HY-101331, CS-0021169, EU-0100987, NS00023100, P-120, P1002, S2578, ST50106251, EN300-304862, T71531, AB00052412-10, F546124, SR-01000075565-1, BRD-K31491153-003-02-6, BRD-K31491153-003-04-2, BRD-K31491153-003-05-9, Q25100298, 1-(Diaminomethylidene)-2-phenyl-guanidine hydrochloride, Phenylbiguanide (N-Phenylbiguanide; PBG; 1-Phenylbiguanide), 1-{[{[AMINO(IMINO)METHYL]AMINO}(IMINO)METHYL]AMINO}BENZENE
Theoretical properties:
molecular_formula: C8H11N5
molecular_weight: 177.21 g/mol
exact_mass: 177.10144537 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 3
hydrogen_bond_acceptor_count: 1
rotatable_bond_count: 2
heavy_atom_count: 13
topological_polar_surface_area: 103 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
solubility: >26.6 [ug/mL] (The mean of the results at pH 7.4)
Descriptions:
pubchem: Phenyl biguanide is a member of the class of biguanides that is biguanide in which one of the terminal nitrogen atoms is substituted by a phenyl group. It has a role as a central nervous system drug. It is functionally related to a biguanide.
chebi: A member of the class of biguanides that is biguanide in which one of the terminal nitrogen atoms is substituted by a phenyl group.
chembl: PHENYL BIGUANIDE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Phenylbiguanide (PBG) is a 5-HT3 agonist used to study the role of 5-HT3 receptors in the central nervous system. It has been found to trigger dopamine release in the nucleus accumbens of rats.