CID 1211
Basic information
- CAS
1019837-20-7- Standard SMILES
COc1cc2c3cc1Oc1cc(ccc1O)CC1c4c(cc(OC)c(O)c4Oc4ccc(cc4)CC3N(C)CC2)CC[N+]1(C)C- InChIKey
JFJZZMVDLULRGK-UHFFFAOYSA-O- Molecular formula
- C37H41N2O6+
- Average molar mass
- 609.7 g/mol
- Monoisotopic mass
- 609.29646203
Names & identifiers
- Preferred name
- CID 1211
- IUPAC
- 10,25-dimethoxy-15,15,30-trimethyl-7,23-dioxa-30-aza-15-azoniaheptacyclo[22.6.2.23,6.18,12.118,22.027,31.016,34]hexatriaconta-3(36),4,6(35),8(34),9,11,18(33),19,21,24,26,31-dodecaene-9,21-diol
Names & synonyms
1019837-20-7CHEMBL1616987BDBM81458DTXSID10859021NSC_6000PDSP1_000462PDSP2_000460CAS_57-94-3L00090910,25-Dimethoxy-15,15,30-trimethyl-7,23-dioxa-30-aza-15-azoniaheptacyclo[22.6.2.23,6.18,12.118,22.027,31.016,34]hexatriaconta-3(36),4,6(35),8(34),9,11,18(33),19,21,24,26,31-dodecaene-9,21-diol
Database identifiers
- CAS
1019837-20-7- PubChem CID
- 1211
- DTXSID
DTXSID10859021- ChEMBL
CHEMBL1616987
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 80.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 45
- Formal charge
- 1
- Complexity
- 990
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