Input interpretation
propantheline bromide
Chemical names and formulas
![formula | C_23H_30NO_3Br Hill formula | C_23H_30BrNO_3 name | propantheline bromide IUPAC name | methyl-dipropan-2-yl-[2-(9H-xanthene-9-carbonyloxy)ethyl]azanium bromide alternate names | ercotina | neometantyl | neopepulsan | prodixamon mass fractions | Br (bromine) 17.8% | C (carbon) 61.6% | H (hydrogen) 6.74% | N (nitrogen) 3.12% | O (oxygen) 10.7%](../image_source/2a08fbb5816fc9c8971512b9b0cdbc68.png)
formula | C_23H_30NO_3Br Hill formula | C_23H_30BrNO_3 name | propantheline bromide IUPAC name | methyl-dipropan-2-yl-[2-(9H-xanthene-9-carbonyloxy)ethyl]azanium bromide alternate names | ercotina | neometantyl | neopepulsan | prodixamon mass fractions | Br (bromine) 17.8% | C (carbon) 61.6% | H (hydrogen) 6.74% | N (nitrogen) 3.12% | O (oxygen) 10.7%
Structure diagram
Structure diagram
vertex count | 28 edge count | 29 Schultz index | 7779 Wiener index | 1850 Hosoya index | 341376 Balaban index | 1.643
Basic properties
molar mass | 448.4 g/mol phase | solid (at STP) melting point | 158 °C
Units
Hydrophobicity and permeability properties
predicted LogP hydrophobicity | 2.67 predicted LogS | -6.75
Basic drug properties
approval status | approved | small molecule drug categories | anti-ulcer agent | antimuscarinic | antispasmodic | muscarinic antagonist dosage forms | oral: tablet
brand names | pro-banthine | propanthel
Chemical identifiers
(CCOC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13)C(C)C.[Br-] InChI identifier | InChI=1/C23H30NO3.BrH/c1-16(2)24(5, 17(3)4)14-15-26-23(25)22-18-10-6-8-12-20(18)27-21-13-9-7-11-19(21)22;/h6-13, 16-17, 22H, 14-15H2, 1-5H3;1H/q+1;/p-1/fC23H30NO3.Br/h;1h/qm;-1 InChI key | VVWYOYDLCMFIEM-UHFFFAOYAG EU number | 200-030-6 RTECS number | BP8249200](../image_source/de5541cca2bc3d407061297b23eb3c85.png)
CAS number | 50-34-0 Beilstein number | 3643037 PubChem CID number | 9279 PubChem SID number | 9709 SMILES identifier | CC(C)[N+](C)(CCOC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13)C(C)C.[Br-] InChI identifier | InChI=1/C23H30NO3.BrH/c1-16(2)24(5, 17(3)4)14-15-26-23(25)22-18-10-6-8-12-20(18)27-21-13-9-7-11-19(21)22;/h6-13, 16-17, 22H, 14-15H2, 1-5H3;1H/q+1;/p-1/fC23H30NO3.Br/h;1h/qm;-1 InChI key | VVWYOYDLCMFIEM-UHFFFAOYAG EU number | 200-030-6 RTECS number | BP8249200
Toxicity properties
RTECS classes | drug | mutagen