Benzyl (2S,5R)-5-((benzyloxy)amino)piperidine-2-carboxylate oxalate

HCID 70673933

Notizen Reaktionen

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

CAS: 1171080-45-7
Standard-SMILES: O=C(O)C(=O)O.O=C(OCc1ccccc1)[C@@H]1CC[C@@H](NOCc2ccccc2)CN1
InChIKey: AMOSSTKBTVKFNW-VOMIJIAVSA-N
Summenformel: C22H26N2O7
Durchschnittliche Molmasse: 430,5 g/mol
Monoisotopische Masse: 430,17400117

Namen und Bezeichner

Bevorzugter Name: Benzyl (2S,5R)-5-((benzyloxy)amino)piperidine-2-carboxylate oxalate
IUPAC: benzyl (2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxylate;oxalic acid
Englischer Name: Benzyl (2S,5R)-5-[(benzyloxy)amino]piperidine-2-carboxylate ethanedioate
Summenformel: C22H26N2O7
Molmasse: 430.46

Namen und Synonyme

2-Piperidinecarboxylic acid, 5-[(phenylmethoxy)amino]-, phenylmethyl ester, (2S,5R)-, ethanedioate (1:1)BENZYL (2S,5R)-5-((BENZYLOXY)AMINO)PIPERIDINE-2-CARBOXYLATE OXALATE2-Piperidinecarboxylic acid, 5-((phenylmethoxy)amino)-, phenylmethyl ester, (2S,5R)-, ethanedioate (1:1)RefChem:566529810-636-81171080-45-7(2S,5R)-Benzyl 5-((benzyloxy)amino)piperidine-2-carboxylate oxalateMFCD29472311benzyl (2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxylate;oxalic acidbenzyl (2S,5R)-5-[(benzyloxy)amino]piperidine-2-carboxylate ethanedioate(2S,5R)-5-benzyloxyaminopiperidin-2-carboxylic acid benzyl ester oxalic acid saltSCHEMBL15309424

Weitere Namen anzeigen

Avibatan intermediateDifethialone Impurity 3Avibactam Intermediate 3(2S,5R)-5-[(benzyloxy)amino]piperidine-2-carboxylic acid ben...benzyl(2S,5R)-5-((benzyloxy)amino)piperdine-2-carboxylate oxalatebenzyl(2S,5R)-5-((benzyloxy)amino)piperidine-2-carboxylateoxalate(2S, 5R) -5-[(benzoxy) amino] piperidine-2-benzyl carboxylate, edioate(2S,5R)-5-Benzyloxyamino-piperidine-2-carboxylic acid benzyl ester oxalate

EX-A2293BAMOSSTKBTVKFNW-VOMIJIAVSA-NDTXSID701378982CS-M3164AKOS030524181AT10876DS-19729SY395531

Datenbank-Bezeichner

CAS: 1171080-45-7
PubChem CID: 70673933
DTXSID: DTXSID701378982
EC Number: 810-636-8

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 134 Å²
H-Brücken-Donoren: 4
H-Brücken-Akzeptoren: 9
Frei drehbare Bindungen: 9
Schwere Atome: 31
Formalladung: 0
Komplexität: 464

Physikochemische Eigenschaften

storage temp.: Inert atmosphere,Room Temperature
InChIKey: AMOSSTKBTVKFNW-DSCXOBNPNA-N
SMILES: C(=O)(O)C(=O)O.C([C@H]1NC[C@H](NOCC2C=CC=CC=2)CC1)(=O)OCC1C=CC=CC=1 |&1:7,10,r|

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H411 (25%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P264+P265, P273, P280, P305+P354+P338, P317, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.