AT 2433-A1
Basic information
- CAS
102644-20-2- Standard SMILES
CN[C@H]1CO[C@@H](OC[C@H]2O[C@@H](n3c4c(Cl)cccc4c4c5c(c6c7ccccc7[nH]c6c43)C(=O)N(C)C5=O)[C@H](O)[C@@H](O)[C@@H]2OC)C[C@@H]1O- InChIKey
CGQSZYLXZOKJEJ-VYCQBBBDSA-N- Molecular formula
- C34H35ClN4O9
- Average molar mass
- 679.1 g/mol
- Monoisotopic mass
- 678.2092564
Overview
AT2433-A1 is an indolocarbazole.
Names & identifiers
- Preferred name
- AT 2433-A1
- IUPAC
- 5-chloro-3-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-[[(2S,4S,5S)-4-hydroxy-5-(methylamino)oxan-2-yl]oxymethyl]-5-methoxyoxan-2-yl]-13-methyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17,19,21-nonaene-12,14-dione
Names & synonyms
AT2433-A1102644-20-2AT 2433-A1RefChem:9164365-Chloro-3-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-[[(2S,4S,5S)-4-hydroxy-5-(methylamino)oxan-2-yl]oxymethyl]-5-methoxyoxan-2-yl]-13-methyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17,19,21-nonaene-12,14-dioneCHEMBL3589063SCHEMBL33528754CHEBI:2222735H-Indolo(2,3-a)pyrrolo(3,4-c)carbazole-5,7(6H)-dione, 1-chloro-13-(6-O-(2,4-dideoxy-4-(methylamino)pentopyranosyl)-4-O-methylhexopyranosyl)-12,13-dihydro-6-methyl-
Database identifiers
- CAS
102644-20-2- PubChem CID
- 128141
- ChEMBL
CHEMBL3589063- ChEBI
CHEBI:222273- Nikkaji
- J1.190.353C
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 168 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,230
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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