Pipecuronium , CAS No.68399-58-6

CAS: 68399-58-6 Cat. No.: P667907 Formula: C35H62N4O4⁺2 Peso molecolare: 602.9
Disponibile su ordine
Synonyms
PIPECURONIUM|Pipecurium|PIPECURONIUM [VANDF]|PIPECURONIUM [WHO-DD]|4-[(1S,2S,4S,5S,7S,10R,11S,13S,14R,15S)-5,14-bis(acetyloxy)-4-(4,4-dimethylpiperazin-4-ium-1-yl)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-13-yl]-1,1-dimethylpiperazin-1-ium|Piperazinium, 4,4'-((2beta,3alpha,5alpha,16beta,17beta)-3,17-bis(acetyloxy)androstane-2,16-diyl)bis(1,1-dimethyl-
Storage
Room temperature
★
Dimensione
Germania (EU)
USA*
Prezzo
Qtà
1mg
P667907-1mg
Su ordinazione · 8–12 settimane

496,26€

744,43€
Salva 248,17 € (33.34%)
5mg
P667907-5mg
Su ordinazione · 8–12 settimane

1.735,39€

2.603,13€
Salva 867,74 € (33.33%)
Enter a quantity for the sizes you want to add.

Specifiche

Sinonimi
PIPECURONIUM | Pipecurium | PIPECURONIUM [VANDF] | PIPECURONIUM [WHO-DD] | 4-[(1S,2S,4S,5S,7S,10R,11S,13S,14R,15S)-5,14-bis(acetyloxy)-4-(4,4-dimethylpiperazin-4-ium-1-yl)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-13-yl]-1,1-dimethylpiperazin-1-ium | Piperazinium, 4,4'-((2beta,3alpha,5alpha,16beta,17beta)-3,17-bis(acetylo Mostra altro
Condizioni di conservazione di stoccaggio
Room temperature
Proprietà del prodotto
ALogP
4.5
Nomi e identificatori
Sorrisi canonici
CC(=O)OC1CC2CCC3C(C2(CC1N4CC[N+](CC4)(C)C)C)CCC5(C3CC(C5OC(=O)C)N6CC[N+](CC6)(C)C)C
IUPAC Name
[(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-acetyloxy-2,16-bis(4,4-dimethylpiperazin-4-ium-1-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
InChIKey
OWWLUIWOFHMHOQ-XGHATYIMSA-N
INCHI
1S/C35H62N4O4/c1-24(40)42-32-21-26-9-10-27-28(35(26,4)23-31(32)37-15-19-39(7,8)20-16-37)11-12-34(3)29(27)22-30(33(34)43-25(2)41)36-13-17-38(5,6)18-14-36/h26-33H,9-23H2,1-8H3/q+2/t26-,27+,28-,29-,30-,31-,32-,33-,34-,35-/m0/s1
Isomeri SMILES
CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@@H]([C@]2(C[C@@H]1N4CC[N+](CC4)(C)C)C)CC[C@]5([C@H]3C[C@@H]([C@@H]5OC(=O)C)N6CC[N+](CC6)(C)C)C
Peso molecolare
602.9
Reaxy-Rn
5325535
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5325535&ln=

Dati avanzati

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassLipids and lipid-like molecules
ClasseSteroids and steroid derivatives
SubclassSteroid esters
Intermediate Tree Nodes Not available
Direct ParentSteroid esters
Alternative Parents Androstane steroids  N-methylpiperazines  Dicarboxylic acids and derivatives  Tetraalkylammonium salts  Trialkylamines  Carboxylic acid esters  Amino acids and derivatives  Azacyclic compounds  Organopnictogen compounds  Organic salts  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  Organic cations  
Molecular FrameworkAliphatic heteropolycyclic compounds
Substituents Steroid ester - Androstane-skeleton - N-methylpiperazine - N-alkylpiperazine - 1,4-diazinane - Dicarboxylic acid or derivatives - Piperazine - Tetraalkylammonium salt - Quaternary ammonium salt - Amino acid or derivatives - Carboxylic acid ester - Tertiary amine - Tertiary aliphatic amine - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Amine - Carbonyl group - Organic nitrogen compound - Organic salt - Organic cation - Aliphatic heteropolycyclic compound
DescrizioneThis compound belongs to the class of organic compounds known as steroid esters. These are compounds containing a steroid moiety which bears a carboxylic acid ester group.
External Descriptors steroid ester
Struttura 3D
Modello di struttura chimica interattiva





Obiettivi associati (non umani)
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Meccanismi d'azione
Certificati (CoA, COO, BSE/TSE e tabella di analisi)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Proprietà chimiche e fisiche
Peso molecolare602.900 g/mol
XLogP34.500
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass602.477 Da
Monoisotopic Mass602.477 Da
Topological Polar Surface Area59.100 Ų
Heavy Atom Count43
Formal Charge2
Complexity1060.000
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calcolatori di soluzioni
Recensioni

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