Input interpretation
dibucaine hydrochloride
Chemical names and formulas
![formula | C_20H_30N_3O_2Cl_1 Hill formula | C_20H_30ClN_3O_2 name | dibucaine hydrochloride IUPAC name | 2-[(2-butoxyquinoline-4-carbonyl)amino]ethyl-diethyl-azanium chloride alternate names | benzolin | cinchocaine hydrochloride | dibucaine | percaine mass fractions | C (carbon) 63.2% | Cl (chlorine) 9.33% | H (hydrogen) 7.96% | N (nitrogen) 11.1% | O (oxygen) 8.42%](../image_source/1d1d7a62fab279f1cd95ac595ae16ebe.png)
formula | C_20H_30N_3O_2Cl_1 Hill formula | C_20H_30ClN_3O_2 name | dibucaine hydrochloride IUPAC name | 2-[(2-butoxyquinoline-4-carbonyl)amino]ethyl-diethyl-azanium chloride alternate names | benzolin | cinchocaine hydrochloride | dibucaine | percaine mass fractions | C (carbon) 63.2% | Cl (chlorine) 9.33% | H (hydrogen) 7.96% | N (nitrogen) 11.1% | O (oxygen) 8.42%
Structure diagram
Structure diagram
vertex count | 26 edge count | 28 Schultz index | 6680 Wiener index | 1654 Hosoya index | 148836 Balaban index | 1.867
Basic properties
molar mass | 379.93 g/mol phase | solid (at STP) melting point | 97 °C
Units
Hydrophobicity and permeability properties
experimental LogP hydrophobicity | 4.2 predicted LogP hydrophobicity | 3.79 experimental LogS | -3.7 predicted LogS | -3.95
Drug interactions
acenocoumarol | lithium | D-methotrexate (total: 3)
Basic drug properties
approval status | approved | small molecule drug categories | local anesthetic dosage forms | rectal: ointment
brand names | cinchocaine | cinchocaine HCl | dermacaine | dibucain | dibucaine base | dibucaine hydrochloride | heavy solution nupercaine | nupercainal | nupercaine | sovcaine | cinchocaine hydrochloride
Solid properties (at STP)
refractive index | 1.5502
Chemical identifiers
CC.[Cl-] InChI identifier | InChI=1/C20H29N3O2.ClH/c1-4-7-14-25-19-15-17(16-10-8-9-11-18(16)22-19)20(24)21-12-13-23(5-2)6-3;/h8-11, 15H, 4-7, 12-14H2, 1-3H3, (H, 21, 24);1H/fC20H30N3O2.Cl/h21, 23H;1h/q+1;-1 InChI key | PUFQVTATUTYEAL-PKSOQXRJCE EU number | 200-498-1 RTECS number | GD3325000](../image_source/3b3770e4dc4a89530da1b3900ae0d6b5.png)
CAS number | 61-12-1 Beilstein number | 3770332 PubChem CID number | 6078 PubChem SID number | 10081 SMILES identifier | CCCCOC1=NC2=CC=CC=C2C(=C1)C(=O)NCC[NH+](CC)CC.[Cl-] InChI identifier | InChI=1/C20H29N3O2.ClH/c1-4-7-14-25-19-15-17(16-10-8-9-11-18(16)22-19)20(24)21-12-13-23(5-2)6-3;/h8-11, 15H, 4-7, 12-14H2, 1-3H3, (H, 21, 24);1H/fC20H30N3O2.Cl/h21, 23H;1h/q+1;-1 InChI key | PUFQVTATUTYEAL-PKSOQXRJCE EU number | 200-498-1 RTECS number | GD3325000
NFPA label
NFPA label
NFPA health rating | 2 NFPA fire rating | 0
Toxicity properties
RTECS classes | drug | mutagen | primary irritant