Ccris 6981
Basic information
- CAS
140460-96-4- Standard SMILES
O[C@@H]1[C@H]2O[C@H]2c2c(ccc3cc4c(ccc5ccccc54)nc23)[C@H]1O- InChIKey
YDXYXYWIDOQJHT-IVAOSVALSA-N- Molecular formula
- C21H15NO3
- Average molar mass
- 329.3 g/mol
- Monoisotopic mass
- 329.10519334
Names & identifiers
- Preferred name
- Ccris 6981
- IUPAC
- (16S,18R,19S,20R)-17-oxa-13-azahexacyclo[12.9.0.03,12.04,9.015,21.016,18]tricosa-1,3(12),4,6,8,10,13,15(21),22-nonaene-19,20-diol
Names & synonyms
140460-96-4CCRIS 6981(-)-11R,10S-Dihydroxy-9R,8S-epoxy-8,9,10,11-tetrahydrodibenz(a,h)acridine11S,10R-Dihydroxy-9R,8S-epoxide-8,9,10,11-tetrahydrodibenz(a,h)acridineBenz(a)oxireno(5,6)benz(1,2-h)acridine-2,3-diol, 1a,2,3,13c-tetrahydro-, (1a-alpha,2-alpha,3-beta,13c-alpha)-(-)-(1aalpha,2alpha,3beta,13Calpha)-(-)-1a,2,3,13c-tetrahydrobenz(a)oxireno(5,6)benz(1,2-h)acridine-2,3-diol(1AALPHA,2ALPHA,3BETA,13CALPHA)-(-)-1A,2,3,13C-TETRAHYDROBENZ[A]OXIRENO[5,6]BENZ[1,2-H]ACRIDINE-2,3- DIOL
Database identifiers
- CAS
140460-96-4- PubChem CID
- 3036727
- Nikkaji
- J473.518H
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 65.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 541
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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