-
Name
aderbasib
- EINECS
- CAS No. 791828-58-5
- Density 1.38
- Solubility
- Melting Point
- Formula C21H28 N4 O5
- Boiling Point
- Molecular Weight 416.477
- Flash Point
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Aderbasib;INCB 007839
- PSA 102.42000
- LogP 1.40940
Aderbasib Chemical Properties
Molecular structure of Aderbasib (CAS NO.791828-58-5) is:
Product Name: Aderbasib
CAS Registry Number: 791828-58-5
IUPAC Name: methyl (5S,6S)-5-(hydroxycarbamoyl)-6-(4-phenylpiperazine-1-carbonyl)-7-azaspiro[2.5]octane-7-carboxylate
Molecular Weight: 416.47082 [g/mol]
Molecular Formula: C21H28N4O5
XLogP3-AA: 0.8
H-Bond Donor: 2
H-Bond Acceptor: 6
Density: 1.38 g/cm3
Classification Code: ADAM Inhibitor ;Antineoplastic ;ErbB Sheddase Inhibitor
Canonical SMILES: COC(=O)N1CC2(CC2)CC(C1C(=O)N3CCN(CC3)C4=CC=CC=C4)C(=O)NO
Isomeric SMILES: COC(=O)N1CC2(CC2)C[C@@H]([C@H]1C(=O)N3CCN(CC3)C4=CC=CC=C4)C(=O)NO
InChI: InChI=1S/C21H28N4O5/c1-30-20(28)25-14-21(7-8-21)13-16(18(26)22-29)17(25)19(27)24-11-9-23(10-12-24)15-5-3-2-4-6-15/h2-6,16-17,29H,7-14H2,1H3,(H,22,26)/t16-,17-/m0/s1
InChIKey: DJXMSZSZEIKLQZ-IRXDYDNUSA-N
Aderbasib Specification
Aderbasib , its cas register number is 791828-58-5. It also can be called (6S,7S)-7-[(Hydroxyamino)carbonyl]-6-[(4-phenyl-1-piperazinyl)carbonyl]-5-azaspiro[2.5]octane-5-carboxylic acid methyl ester ; 5-Azaspiro[2.5]octane-5-carboxylicacid, 7-[(hydroxyamino)carbonyl]-6-[(4-phenyl-1-piperazinyl)carbonyl]-, methylester, (6S,7S)- .
About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia
Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog
©2008 LookChem.com,License: ICP
NO.:Zhejiang16009103
complaints:service@lookchem.com Desktop View