2-(16,18-Dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]-nonadeca-2,4,6,9,11,13-hexaen-17-yl)-4-methylpentanoic acid
Basic information
- CAS
306967-37-3- Standard SMILES
CC(C)CC(C(=O)O)N1C(=O)C2C3c4ccccc4C(c4ccccc43)C2C1=O- InChIKey
PGJVHPHCIWSPOX-UHFFFAOYSA-N- Molecular formula
- C24H23NO4
- Average molar mass
- 389.4 g/mol
- Monoisotopic mass
- 389.16270821
Names & identifiers
- Preferred name
- 2-(16,18-Dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]-nonadeca-2,4,6,9,11,13-hexaen-17-yl)-4-methylpentanoic acid
- IUPAC
- 2-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)-4-methylpentanoic acid
- English name
- SALOR-INT L260541-1EA
- Molecular formula
- C24H23NO4
- Molecular weight
- 389.44
Names & synonyms
306967-37-3MFCD021709232-(16,18-Dioxo-17-azapentacyclo[6.6.5.0(2,7).0(9,14).0(15,19)]nonadeca-2,4,6,9,11,13-hexaen-17-yl)-4-methylpentanoic acid2-(16,18-Dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]-nonadeca-2,4,6,9,11,13-hexaen-17-yl)-4-methylpentanoic acid2-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)-4-methylpentanoic acid2-(12,14-Dioxo-9,10-dihydro-9,10-[3,4]epipyrroloanthracen-13-yl)-4-methylpentanoic acid2-{16,18-dioxo-17-azapentacyclo[6.6.5.0(2),?.0?,(1)?.0(1)?,(1)?]nonadeca-2(7),3,5,9(14),10,12-hexaen-17-yl}-4-methylpentanoic acidTimTec1_005144Oprea1_1219032-(16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)-4-methylpentanoic acidHMS1548J18ALBB-017696
Show more names
SALOR-INT L260541-1EA4,9[1',2']-Benzeno-2H-benz[f]isoindole-2-acetic acid, 1,3,3a,4,9,9a-hexahydro-α-(2-methylpropyl)-1,3-dioxo-
RCL L260541STL059267AKOS003621776LS-05842CS-0327983H32352SR-01000237278SR-01000237278-1
Database identifiers
- CAS
306967-37-3- PubChem CID
- 2902863
- EC Number
- 126-917-7
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 74.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 648
Physicochemical properties
- Boiling point
- 628.6 · 628.6±55.0 °C(Predicted)
- Density
- 1.309 · 1.309±0.06 g/cm3(Predicted)
- pka
- 3.74 · 3.74±0.21(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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