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Quaternary benzophenanthridine alkaloids

Description:

Alkaloids containing a quaternary N-demethylbenzophenanthridine skeleton, where the nitrogen atom of the phenanthridine moiety is part of four bonds.
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  1. Sanguinarine chloride hydrate
    Cas Number: 5578-73-4        Compound CID:  68635
    Formula:  C20H14ClNO4 · xH2O        Molecular Weight: 367.78(anhydrous basis)
    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
    SMILES:  C[N+]1=C2C(=C3C=CC4=C(C3=C1)OCO4)C=CC5=CC6=C(C=C52)OCO6.[Cl-]
    InChIKey: GIZKAXHWLRYMLE-UHFFFAOYSA-M
    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
    Synonyms: SANGUINARINE CHLORIDE | FD10130 | Q-100647 | (1,3)Benzodioxolo(5,6-c)-1,3-dioxolo(4,5-i)phenanthridinium, 13-methyl-,...
  2. Sanguinarine chloride hydrate
      Grade & Purity: 
    • 10mM in DMSO
    Cas Number: 5578-73-4        Compound CID:  68635
    Formula:  C20H14ClNO4 · xH2O        Molecular Weight: 367.78(anhydrous basis)
    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
    SMILES:  C[N+]1=C2C(=C3C=CC4=C(C3=C1)OCO4)C=CC5=CC6=C(C=C52)OCO6.[Cl-]
    InChIKey: GIZKAXHWLRYMLE-UHFFFAOYSA-M
    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
    Synonyms: SANGUINARINE CHLORIDE|5578-73-4|Sanguinarium Chloride|Viadent|Sanguinarine chloride hydrate|Sanguinarine hydrochlorid...
  3. Sanguinarine
    Cas Number: 2447-54-3        Compound CID:  5154
    Formula:  C20H14NO4        Molecular Weight: 332.33
    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
    SMILES:  C[N+]1=C2C(=C3C=CC4=C(C3=C1)OCO4)C=CC5=CC6=C(C=C52)OCO6
    InChIKey: INVGWHRKADIJHF-UHFFFAOYSA-N
    InChI:  InChI=1S/C20H14NO4/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/q+1
    Synonyms: SANGUINARINE|2447-54-3|Pseudochelerythrine|Sanguinarin|sangvinarin|SANGUINARIUM|Veadent|Sangrovit|Dimethylenedioxy be...
  4. Chelerythrine chloride
    Cas Number: 3895-92-9        EC Number: 223-444-9
    Formula:  C21H18NO4.Cl        Molecular Weight: 383.82
    IUPAC Name:  1,2-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium;chloride
    SMILES:  C[N+]1=C2C(=C3C=CC(=C(C3=C1)OC)OC)C=CC4=CC5=C(C=C42)OCO5.[Cl-]
    InChIKey: WEEFNMFMNMASJY-UHFFFAOYSA-M
    InChI:  InChI=1S/C21H18NO4.ClH/c1-22-10-16-13(6-7-17(23-2)21(16)24-3)14-5-4-12-8-18-19(26-11-25-18)9-15(12)20(14)22;/h4-10H,11H2,1-3H3;1H/q+1;/p-1
    Synonyms: Chelerythrine hydrochloride | Q-200825 | SR-01000075750 | UNII-7IC98TZ0PZ | BCP0726000282 | CHELERYTHRINIUM CHLORIDE ...
  5. Chelerythrine chloride
      Grade & Purity: 
    • 10mM in DMSO
    Cas Number: 3895-92-9        EC Number: 223-444-9
    Formula:  C21H18NO4.Cl        Molecular Weight: 383.82
    IUPAC Name:  1,2-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium;chloride
    SMILES:  C[N+]1=C2C(=C3C=CC(=C(C3=C1)OC)OC)C=CC4=CC5=C(C=C42)OCO5.[Cl-]
    InChIKey: WEEFNMFMNMASJY-UHFFFAOYSA-M
    InChI:  InChI=1S/C21H18NO4.ClH/c1-22-10-16-13(6-7-17(23-2)21(16)24-3)14-5-4-12-8-18-19(26-11-25-18)9-15(12)20(14)22;/h4-10H,11H2,1-3H3;1H/q+1;/p-1
    Synonyms: Chelerythrine chloride|3895-92-9|1,2-Dimethoxy-12-methyl-[1,3]dioxolo[4',5':4,5]benzo[1,2-c]phenanthridin-12-ium chlo...
  6. Chelerythrine chloride
    Cas Number: 3895-92-9        EC Number: 223-444-9
    Formula:  C21H18NO4.Cl        Molecular Weight: 383.82
    IUPAC Name:  1,2-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium;chloride
    SMILES:  C[N+]1=C2C(=C3C=CC(=C(C3=C1)OC)OC)C=CC4=CC5=C(C=C42)OCO5.[Cl-]
    InChIKey: WEEFNMFMNMASJY-UHFFFAOYSA-M
    InChI:  InChI=1S/C21H18NO4.ClH/c1-22-10-16-13(6-7-17(23-2)21(16)24-3)14-5-4-12-8-18-19(26-11-25-18)9-15(12)20(14)22;/h4-10H,11H2,1-3H3;1H/q+1;/p-1
    Synonyms: Chelerythrine hydrochloride | Q-200825 | SR-01000075750 | UNII-7IC98TZ0PZ | BCP0726000282 | CHELERYTHRINIUM CHLORIDE ...
  7. Sanguinarine chloride hydrate
      Grade & Purity: 
    • ≥97%(HPLC)
    Cas Number: 5578-73-4        Compound CID:  68635
    Formula:  C20H14ClNO4 · xH2O        Molecular Weight: 367.78(anhydrous basis)
    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
    SMILES:  C[N+]1=C2C(=C3C=CC4=C(C3=C1)OCO4)C=CC5=CC6=C(C=C52)OCO6.[Cl-]
    InChIKey: GIZKAXHWLRYMLE-UHFFFAOYSA-M
    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
    Synonyms: SANGUINARINE CHLORIDE | FD10130 | Q-100647 | (1,3)Benzodioxolo(5,6-c)-1,3-dioxolo(4,5-i)phenanthridinium, 13-methyl-,...
  8. Sanguinarine
    Cas Number: 2447-54-3        Compound CID:  5154
    Formula:  C20H14NO4        Molecular Weight: 332.33
    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
    SMILES:  C[N+]1=C2C(=C3C=CC4=C(C3=C1)OCO4)C=CC5=CC6=C(C=C52)OCO6
    InChIKey: INVGWHRKADIJHF-UHFFFAOYSA-N
    InChI:  InChI=1S/C20H14NO4/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/q+1
    Synonyms: CHEBI:17183 | sangvinarin | AB00053789_04 | compound 1 [PMID: 28621943] | BDBM25525 | NCGC00015959-04 | 13-Methyl[1,3...
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