5-Oxo-DL-prolin

Pyrrolidone carboxylic acid

HCID 499CAS 149-87-1
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Grundinformationen

Standard-SMILES
O=C1CCC(C(=O)O)N1
InChIKey
ODHCTXKNWHHXJC-UHFFFAOYSA-N
Summenformel
C5H7NO3
Durchschnittliche Molmasse
129,11 g/mol
Monoisotopische Masse
129,04259308

Überblick

5-oxoproline is an oxoproline having the oxo group placed at the 5-position. It is an intermediate metabolite in the glutathione cycle. It has a role as a human metabolite. It is an oxoproline, a pyrrolidinemonocarboxylic acid and a member of pyrrolidin-2-ones. It is a conjugate acid of a 5-oxoprolinate.

Namen und Bezeichner

Bevorzugter Name
Pyrrolidone carboxylic acid
IUPAC
5-oxopyrrolidine-2-carboxylic acid
Lokaler Name
5-Oxo-DL-prolin
Englischer Name
DL-Pyroglutamic acid
Summenformel
C5H7NO3
Molmasse
129.11

Namen und Synonyme

DL-Pyroglutamic acid149-87-15-Oxo-DL-prolineDL-Proline, 5-oxo-DL-2-Pyrrolidone-5-carboxylic aciddl-pyrrolidonecarboxylic acid6VT1YZM21HNSC-40887DL-2-Pyrrolidinone-5-carboxylic acidRefChem:871105DTXCID50382626205-748-3
Weitere Namen anzeigen
2-PYRROLIDONE-5-CARBOXYLIC ACIDH-DL-PYR-OHDL-Pyr-OHDL-PYRDL- pGlu-OHDL-5-OxoprolineDL-PyroglutamicDL- pyroglutaMate
DTXSID20431796PYRROLIDONE CARBOXYLIC ACID5-Oxopyrrolidine-2-carboxylic acid5-OXOPROLINE5-Oxo-D-prolinPyr-OH2-L-Pyrrolidone-5-carboxylicacidOXOPROLINE

Datenbank-Bezeichner

CAS
149-87-1、16891-48-8
PubChem CID
499
DTXSID
DTXSID80859174
ChEBI
CHEBI:16010
UNII
6VT1YZM21H
EC Number
205-748-3
Nikkaji
J36.868G

Eigenschaften

Berechnete Struktureigenschaften

XLogP
-0,8
Polarare Oberfläche (TPSA)
66,4 Ų
H-Brücken-Donoren
2
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
1
Schwere Atome
9

Physikochemische Eigenschaften

Schmelzpunkt
183 · 183-185 °C(lit.)
Siedepunkt
239.15 °C · 239.15°C (rough estimate)
Dichte
1.3816 · 1.3816 (rough estimate)
Dampfdruck
0 Pa · 0Pa at 25℃
Brechungsindex
1.422 · 1.4220 (estimate)
storage temp.
Sealed in dry,Room Temperature

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 54.5% (60 of 110) of all reports.

Warning

H302 (36.4%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, 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)

Aggregated GHS information provided per 110 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 3 Einträge

Chemical: DL-Proline, 5-oxo-

Status: Active Update: 19-11-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/23377

Proline, 5-oxo-: Non hazardous

Other Safety InformationIMAP assessments - DL-Proline, 5-oxo-: Environment tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (36.4%)

Sicherheitsdaten

wgk
3
hs_code
29337900
risk_code
22-36/37/38
hazard_code
Xn,Xi
safety_code
26-37/39
hazard_class
IRRITANT

Chemie und Industrie

Anwendungen

VerwendenDL-Pyroglutamic acid is used in the preparation of AZT steroid conjugates as potent anti-HIV agents.

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海如吉生物科技发展有限公司+86-21-65211385-8001 36031160 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: An oxoproline having the oxo group placed at the 5-position. It is an intermediate metabolite in the glutathione cycle.

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