Sanguinarium Chloride
PubChem CID: 68635
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| Compound Synonyms | SANGUINARINE CHLORIDE, 5578-73-4, Sanguinarium Chloride, Viadent, Sanguinarine chloride hydrate, Sanguinarine hydrochloride, Sanguinarine (chloride), Sanguinarine, chloride, Sanguinarium chloride [USAN:INN], [1,3]Benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridinium,13-methyl-, chloride (1:1), Cloruro de sanguinario, B8Z8J4400H, Chlorure de sanguinarium, MFCD00012126, (1,3)Benzodioxolo(5,6-c)-1,3-dioxolo(4,5-i)phenanthridinium, 13-methyl-, chloride, CHEMBL490129, 5578-73-4 (chloride), SANGUINARINE CHLORIDE [MI], Pseudochelerythrine chloride, Sanguinarium chloride, SANGUINARIUM CHLORIDE [INN], SANGUINARIUM CHLORIDE [USAN], [1,3]benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridinium, 13-methyl-, chloride, 13-methyl-[1,3]dioxolo[4',5':4,5]benzo[1,2-c][1,3]dioxolo[4,5-i]phenanthridin-13-ium chloride, UNII-B8Z8J4400H, SR-01000075650, sanguinarii chloridum, Chelerythrine Chloride,(S), SCHEMBL43290, HY-N0052AR, HY-N0052A, DTXSID30971158, GIZKAXHWLRYMLE-UHFFFAOYSA-M, HMS3263M18, Sanguinarium chloride (USAN/INN), Sanguinarine (chloride) (Standard), Tox21_501108, AKOS024457036, CCG-212462, CS-4784, FD10130, FS27791, LP01108, 13-Methyl-[1,3]benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i] phenanthridinium chloride, NCGC00094379-01, NCGC00094379-02, NCGC00261793-01, 1ST40313, AC-34926, LS-14752, DB-052796, A3229, EU-0101108, D05799, S 5890, Sanguinarine chloride hydrate, >=98% (HPLC), SR-01000075650-2, Q27274521, 13-Methyl-2H,10H-[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridin-13-ium chloride, 13-Methyl[1,3]benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridinium chloride, Sanguinarine hydrochloride, 13-Methyl[1,3]benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridinium chloride13-Methyl[1,3]benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridinium chloride, 24-methyl-5,7,18,20-tetraoxa-24-azoniahexacyclo[11.11.0.0^{2,10.0^{4,8.0^{14,22.0^{17,21]tetracosa-1(24),2,4(8),9,11,13,15,17(21),22-nonaene, chloride, 24-methyl-5,7,18,20-tetraoxa-24-azoniahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1(24),2,4(8),9,11,13,15,17(21),22-nonaene, chloride, 621-641-8, 835-522-5 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 40.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CC2CC3CCC4C(CCC5C6CCCC6CCC54)C3CC2C1 |
| Np Classifier Class | Isoquinoline alkaloids |
| Deep Smiles | C[n+]cccOCOc5ccc9cc%13cccOCOc5cc9cc%13.[Cl-] |
| Heavy Atom Count | 26.0 |
| Classyfire Class | Benzophenanthridine alkaloids |
| Scaffold Graph Node Level | C1OC2CC3CCC4C5CCC6OCOC6C5CNC4C3CC2O1 |
| Classyfire Subclass | Quaternary benzophenanthridine alkaloids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 530.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 24-methyl-5,7,18,20-tetraoxa-24-azoniahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1(24),2,4(8),9,11,13,15,17(21),22-nonaene, chloride |
| Veber Rule | True |
| Classyfire Superclass | Alkaloids and derivatives |
| Gsk 4 400 Rule | True |
| Molecular Formula | C20H14ClNO4 |
| Scaffold Graph Node Bond Level | c1cc2c(c[nH+]c3c4cc5c(cc4ccc23)OCO5)c2c1OCO2 |
| Inchi Key | GIZKAXHWLRYMLE-UHFFFAOYSA-M |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | sanguinarine chloride |
| Esol Class | Moderately soluble |
| Functional Groups | [Cl-], c1cOCO1, c[n+](c)C |
| Compound Name | Sanguinarium Chloride |
| Exact Mass | 367.061 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 367.061 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 367.8 |
| Gi Absorption | True |
| Covalent Unit Count | 2.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C20H14NO4.ClH/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21, /h2-8H,9-10H2,1H3, 1H/q+1, /p-1 |
| Smiles | C[N+]1=C2C(=C3C=CC4=C(C3=C1)OCO4)C=CC5=CC6=C(C=C52)OCO6.[Cl-] |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Tyrosine alkaloids |
- 1. Outgoing r'ship
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