L-(+)-β-Mercaptovalin

(+-)-Penicillamine

HCID 4727CAS 1113-41-3
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Grundinformationen

Standard-SMILES
CC(C)(S)C(N)C(=O)O
InChIKey
VVNCNSJFMMFHPL-UHFFFAOYSA-N
Summenformel
C5H11NO2S
Durchschnittliche Molmasse
149,21 g/mol
Monoisotopische Masse
149,05104977

Namen und Bezeichner

Bevorzugter Name
(+-)-Penicillamine
IUPAC
2-amino-3-methyl-3-sulfanylbutanoic acid
Lokaler Name
L-(+)-β-Mercaptovalin
Englischer Name
L-Penicillamine
Summenformel
C5H11NO2S
Molmasse
149.21

Namen und Synonyme

DL-Penicillamine52-66-4(+-)-PenicillamineValine, 3-mercapto-2XOP7Y1H98RefChem:10490432-Amino-3-mercapto-3-methylbutanoic acid3-SulfanylvalineDL-beta-Mercaptovalinebeta-Mercaptovaline2-amino-3-methyl-3-sulfanylbutanoic acid3,3-Dimethyl-DL-cysteine
Weitere Namen anzeigen
H-PEN-OHl-valinL-Pen-OH3-MERCAPTO-L-VALINE3,3-DIMETHYL-L-CYSTEINE(2R)-2-amino-3-methyl-3-sulfanylbutanoic acidL-(+)-B2NSC 2412613-Mercapto-3-THIOL-VALINE
2-Amino-3-mercapto-3-methylbutyric acid3-MercaptovalineMFCD00004856(+/-)-penicillaminebeta-ThiovalineD-PenicyllamineDL-Valine, 3-mercapto-2-amino-3-methyl-3-sulfanyl-butanoic acid

Datenbank-Bezeichner

CAS
1113-41-3、25526-04-9、52-66-4、52-67-5
PubChem CID
4727
DTXSID
DTXSID7044687
ChEMBL
CHEMBL13239
ChEBI
CHEBI:50868
UNII
2XOP7Y1H98
EC Number
200-147-2
Nikkaji
J60.801G

Eigenschaften

Berechnete Struktureigenschaften

XLogP
-1,8
Polarare Oberfläche (TPSA)
64,3 Ų
H-Brücken-Donoren
3
H-Brücken-Akzeptoren
4
Frei drehbare Bindungen
2
Schwere Atome
9

Experimentelle und physikochemische Eigenschaften

LogP-1.9
Solubility4.65e+00 g/L
Melting Point198.5 °C
Physical DescriptionSolid

Physikochemische Eigenschaften

Schmelzpunkt
206 °C · 206 °C (dec.)(lit.)
Siedepunkt
251.8 · 251.8±35.0 °C(Predicted)
Dichte
1.113 · 1.113 (estimate)
Brechungsindex
63 ° · 63 ° (C=1, 1mol/L NaOH)
storage temp.
Keep in dark place,Inert atmosphere,Room temperature
Löslichkeit
Aqueous Base (Sparingly), DMSO (Slightly, Heated), Water (Slightly)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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 44 reports by companies from 4 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.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.7%)

Sicherheitsdaten

wgk
2
hs_code
29309090
RTECS-Nr.
YV9445500
risk_code
36/37/38-40-20/21/22
Toxizität
LD50 i.p. in rats: 350 mg/kg (Jaffe)
hazard_code
Xi,Xn

Chemie und Industrie

Pharmakologische Informationen

Cellular LocationsMembrane

Anwendungen

VerwendenAs a Penicillin metabolite, L-Penicillamine can be used in the treatment of Wilson’s disease, Cystinuria, Scleroderma and arsenic poisoning.

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
江苏吉泰肽业科技有限公司051580855088 18762539991 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: The L-enantiomer of penicillamine.

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