| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 30th, 2006 | 4 | Yes |
Popular Name: Guanidine Hydrochloride Guanidine Hydrochloride
Find On: PubMed — Wikipedia — Google
CAS Numbers: 113-00-8 , 50-01-1 , 506-93-4 , 593-84-0 , 593-85-1 , [593-84-0]
113-00-8; C17349; Carbamidine; Guanidine
CPD-13517; aminomethanamidine; guanidine; iminourea
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | -1.20 | -4.03 | -29.86 | 6 | 3 | 1 | 77 | 60.08 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 1.15e+01 g/l | DrugBank-approved |
| Mp [°C] | 118 - 122 | Acros Organics |
| Mp [°C] | 178 - 188 | Acros Organics |
| Melting_Point | 213-216? | Alfa-Aesar |
| Melting_Point | 213-216° | Alfa-Aesar |
| Mp [°C] | 267 - 270 | Acros Organics |
| Hazard | C: Corrosive | Acros Organics |
| Melting_Point | ca 198? dec. | Alfa-Aesar |
| Melting_Point | ca 198° dec. | Alfa-Aesar |
| UniProt Database Links | CHEZ_ECOBD; EFE_PSECA; EFE_PSESG; EFE_PSESH; EFE_PSESJ; EFE_PSEYS; EFE_RALSO; GNAT3_MOUSE; HS104_YEAST; S22A1_BOVIN; S22A1_HUMAN; S22A1_MOUSE; S22A1_PIG; S22A1_RABIT; S22A1_RAT; S47A1_DANRE; S47A1_HUMAN; S47A1_MOUSE; S47A1_PONAB; S47A1_RAT; S47A1_XENTR; S | ChEBI |
| UniProt Database Links | CHEZ_ECOBD; EFE_PSECA; EFE_PSESG; EFE_PSESH; EFE_PSESJ; EFE_PSEYS; EFE_RALSO; GNAT3_MOUSE; S22A1_BOVIN; S22A1_HUMAN; S22A1_MOUSE; S22A1_PIG; S22A1_RABIT; S22A1_RAT; S47A1_DANRE; S47A1_HUMAN; S47A1_MOUSE; S47A1_PONAB; S47A1_RAT; S47A1_XENTR; S47A2_HUMAN; S | ChEBI |
| therap | cholinergic | MicroSource World Drugs |
| Target | Chymotrypsin-C(Q99895) | Herbal Ingredients Targets |
| Patent Database Links | EP0784051; EP1426358; EP1647544; EP1834963; EP1905454; US2002037927; US2002049202; US2002156237; US2002198195; US2003012730; US2003097011; US2003166601; US2004167343; US2005209176; US2005245746; US2005260593; US2006016025; US2006069066; US2006089386; US20 | ChEBI |
| Patent Database Links | EP0787728; EP0803501; EP0902019; EP0933367; EP0960882; EP0972767; EP1028114; EP1083166; EP1106605; EP1149834; EP1238971; EP1285909; EP1420018; EP1422553; EP1435357; EP1454902; EP1506970; EP1532978; EP1533355; EP1541558; EP1561466; EP1563839; EP1639994; EP | ChEBI |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| H phrase | H312: Harmful in contact with skin | Acros Organics |
| H phrase | H312: Harmful in contact with skin; H332: Harmful if inhaled; H302: Harmful if swallowed; H412: Harmful to aquatic life with long lasting effects; H314: Causes severe skin burns and eye damage; EUH032: Contact with acids liberates very toxic gas | Acros Organics |
| H phrase | H315: Causes skin irritation | Acros Organics |
| H phrase | H315: Causes skin irritation; H319: Causes serious eye irritation; H302: Harmful if swallowed; H332: Harmful if inhaled | Acros Organics |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection | Acros Organics |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection; P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, | Acros Organics |
| P phrase | P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell | Acros Organics |
| P phrase | P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN E | Acros Organics |
| Notes | Protein denaturantToxic-LD50 of <500mg/Kg | Apollo Scientific Bioactives |
| R phrase | R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. | Acros Organics |
| R phrase | R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.; R32: Contact with acids liberates very toxic gas.; R34: Causes burns.; R52/53: Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment. | Acros Organics |
| R phrase | R22: Harmful if swallowed. | Acros Organics |
| R phrase | R22: Harmful if swallowed.; R36/38: Irritating to eyes and skin. | Acros Organics |
| Reactome Database Links | REACT_20650; REACT_22167; REACT_22221; REACT_22348; REACT_22373 | ChEBI |
| S phrase | S13: Keep away from food, drink and animal feedingstuffs. | Acros Organics |
| S phrase | S13: Keep away from food, drink and animal feedingstuffs.; S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.; S45: In case of a | Acros Organics |
| S phrase | S22: Do not breathe dust. | Acros Organics |
| Therapy | striated muscle stimulant | SMDC MicroSource |
| Hazard | XN: Harmful | Acros Organics |
| Description | Species |
|---|---|
| Organic cation transport | |
| Transport of glucose and other sugars, bile salts and organic acids, metal ions |
No pre-computed analogs available. Try a structural similarity search.