Grundinformationen
- CAS
6233-83-6- Standard-SMILES
CC(=O)O.CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O- InChIKey
DSZOEVVLZMNAEH-BXUJZNQYSA-N- Summenformel
- C45H70N12O14S2
- Durchschnittliche Molmasse
- 1.067,2 g/mol
- Monoisotopische Masse
- 1.066,4575873
Namen und Bezeichner
- Bevorzugter Name
- Oxytocin acetate
- IUPAC
- acetic acid;(2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-[(2S)-butan-2-yl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
- Lokaler Name
- Oxytocin, Monoacetat (Salz)
- Englischer Name
- Oxytocin acetate
- Summenformel
- C43H66N12O12S2.C2H4O2
- Molmasse
- 1067.24
Namen und Synonyme
Oxytocin acetate6233-83-6UNII-4NR672T8NLDTXSID1046552EINECS 228-347-54NR672T8NLDTXCID9026552Oxytocin MonoacetateOxytocin identificationRefChem:55803OXYTOCIN, ACETATE (1:1)OXYTOCIN IDENTIFICATION (USP-RS)
Weitere Namen anzeigen
Pitocin AcetateSynpitan AcetateUteracon AcetateOrasthin AcetatePerlacton AcetateSyntocinon AcetateOxytocin (O0700000)Oxytocin Acetate NO
acetic acid;(2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-[(2S)-butan-2-yl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamideC45H70N12O14S26233-83-6 (acetate)Hyphot ocinOxytocin, acetate (1:1); Oxytocin, acetate (7CI); Oxytocin, monoacetate (salt) (8CI,9CI); 1,2-Dithia-5,8,11,14,17-pentaazacycloeicosane, cyclic peptide deriv.; Oxytocin acetate (salt)Orasthin; OssitocinaNCGC00166145-02SCHEMBL2126148
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 487 Ų
- H-Brücken-Donoren
- 13
- H-Brücken-Akzeptoren
- 17
- Frei drehbare Bindungen
- 17
- Schwere Atome
- 73
- Formalladung
- 0
- Komplexität
- 1.900
Physikochemische Eigenschaften
- storage temp.
- -20 °C · Store at -20°C
- Löslichkeit
- 44 · DMSO:44.0(Max Conc. mg/mL);41.23(Max Conc. mM)Water:50.0(Max Conc. mg/mL);46.85(Max Conc. mM)
- Aggregatzustand
- A crystalline solid
- Farbe
- White to off-white
- InChIKey
- DSZOEVVLZMNAEH-SIVBSZNNNA-N
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H301 (34%): Toxic if swallowed [Danger Acute toxicity, oral]；H302 (66%): Harmful if swallowed [Warning Acute toxicity, oral]；H317 (34%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H331 (34%): Toxic if inhaled [Danger Acute toxicity, inhalation]；H334 (34%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]；H360 (100%): May damage fertility or the unborn child [Danger Reproductive toxicity]；H413 (66%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P203, P233, P260, P261, P264, P270, P271, P272, P273, P280, P284, P301+P316, P301+P317, P302+P352, P304+P340, P316, P318, P321, P330, P333+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 53 reports by companies from 3 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. 3 (34%)；Acute Tox. 4 (66%)；Skin Sens. 1 (34%)；Acute Tox. 3 (34%)；Resp. Sens. 1 (34%)；Repr. 1B (100%)；Aquatic Chronic 4 (66%)
Sicherheitsdaten
- ridadr
- UN 2811 6.1 / PGII
- hs_code
- 2937190000
Chemie und Industrie
Anwendungen
BeschreibungOxytocin acetate is an analog of oxytocin, a hormone that stimulates the uterus during labor. It is synthesized by chemically conjugation oxytocin with acetic acid. The stability of this molecule has been proven to be higher than that of oxytocin. This drug demonstrates a stronger binding affinity for the oxytocin receptor, which may be attributed to its increased molecular weight. Additionally, oxytocin acetate has been observed to increase levels of growth factors and fatty acids in tissues when administered intramuscularly, while also stimulating neurotransmission. It exhibits a shorter onset latency and a longer duration of action compared to other analogs. Apart from its medical applications, oxytocin acetate can also serve as a disinfectant in cosmetic use and as an amide-forming agent in organic synthesis reactions.
VerwendenOxytocin acetate is the salt form of oxytocin and has a more stable structure than oxytocin. Oxytocin is a cyclic nonpeptide that is recommended by the World Health Organization (WHO) for the prevention and treatment of postpartum haemorrhage. Oxytocin is used to therapeutically induce labour and stimulate lactation, and is also the drug of choice for the prevention of postpartum haemorrhage. Oxytocin has also recently been tested for the treatment of social phobia, autism, alcoholism and schizophrenia, and has been investigated for its potential modulatory role in antinociception[1].
Anbieter100 Anbieter
河北伽凡贸易有限公司+86-15354498258 · [email protected]
Ningbo Qingteng Plastic Cost.,Ltd.+86-15028138352 +86-19322619905 · [email protected]
Shanghai Biolang Biotechnology Co., Ltd.+86-15970428662 +86-13397199602 · [email protected]
LIDE PHARMACEUTICALS LIMITED+852-55945652 · [email protected]
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
Zugehörige Reaktionen
4
Notizen zur Verbindung
Wird geladen…