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AG001HTF
142128-59-4 | Ethanone, 1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]-
AG001HTF
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| CAS Number | 142128-59-4 |
| Catalog Number | AG001HTF(AGN-PC-0PRW0K) |
| Chemical Name | Ethanone, 1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]- |
| EC Number | 265-667-4 |
| IUPAC Name | 1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone |
| InChI | InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m0/s1 |
| InChI Key | XMAYWYJOQHXEEK-OZXSUGGESA-N |
| MDL Number | MFCD00865612 |
| Molecular Formula | C26H28Cl2N4O4 |
| Molecular Weight | 531.4309 |
| RTECS Number | TK7912300 |
| SMILES | CC(N1CCN(C2=CC=C(OC[C@@H]3O[C@](C4=C(Cl)C=C(Cl)C=C4)(CN4C=NC=C4)OC3)C=C2)CC1)=O |
| UN Number | 2811 |
| Synonyms | Ketoconazole,
Nizoral,
R 41400,
R-41400,
R41,400,
R41400,
ketoconazole,
65277-42-1,
Extina,
Xolegel,
(+)-Ketoconazole,
Nizoral,
Kuric,
(2R,4S)-ketoconazole,
Ketocanazole,
Ketoconazol,
Fungarest,
Fungoral,
Ketoderm,
C26H28Cl2N4O4,
CPD000058460,
CHEMBL75,
MFCD00058579,
R-41400,
Ketoconazolum,
SMR000058460,
MLS000069784,
MLS001146934,
1-acetyl-4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine,
CHEBI:48336,
NSC 317629,
DSSTox_CID_9879,
DSSTox_RID_78829,
DSSTox_GSID_29879,
1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone,
142128-59-4,
HSDB 7447,
R 41400,
EINECS 265-667-4,
KW-1414,
rac-trans-Ketoconazole,
BRN 4303081,
1-(4-(4-(((2R,4S)-2-((1H-IMIDAZOL-1-YL)METHYL)-2-(2,4-DICHLOROPHENYL)-1,3-DIOXOLAN-4-YL)METHOXY)PHENYL)PIPERAZIN-1-YL)ETHANONE,
KTZ,
SR-01000075626,
SR-01000597381,
Ketoconazole (k),
Ketoconazole,(S),
NCGC00016907-01,
(+-)-cis-1-Acetyl-4-(p-((2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)piperazine,
cis-1-Acetyl-4-[4-[[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazine,
DRG-0073,
KCZ,
KTN,
Prestwick_744,
Ketoconazole [USAN:INN:BAN:JAN],
CAS-65277-42-1,
Tocris-1103,
Opera_ID_397,
Prestwick0_000389,
Prestwick1_000389,
Prestwick2_000389,
Prestwick3_000389,
R 41,400,
UPCMLD-DP138,
R41400,
AC1L9UG3,
SCHEMBL8407,
Lopac0_000666,
R41,400,
BSPBio_000577,
MLS000758224,
MLS001423987,
MLS002207053,
MLS002222255,
BIDD:GT0696,
US9150527, Ketoconazole,
SPBio_002498,
BDBM8610,
BPBio1_000635,
DTXSID7029879,
UPCMLD-DP138:001,
BDBM60666,
HY-B0105A,
Ketoconazole, >=98% (HPLC),
HMS1569M19,
HMS2051A19,
HMS2089N05,
HMS2096M19,
HMS2234H17,
HMS3262E13,
HMS3678J17,
HMS3713M19,
ZINC643138,
CIS-1-ACETYL-4-(4-((2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YL)METHOXY)PHENYL)PIPERAZINE,
Piperazine, (+/-)-1-acetyl-4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-, rel-,
Ketoconazole 2.0 mg/ml in Methanol,
Tox21_110676,
Tox21_300267,
Tox21_500666,
EI-107,
s1353,
AKOS007930650,
AB02344,
API0003081,
CCG-100815,
CS-1846,
KS-1205,
LP00666,
MCULE-2726394491,
NC00065,
MRF-0000100,
24F2-1,25(OH)D3,
NCGC00025000-01,
NCGC00025000-02,
NCGC00025000-03,
NCGC00025000-04,
NCGC00025000-05,
NCGC00025000-06,
NCGC00025000-07,
NCGC00025000-08,
NCGC00025000-09,
NCGC00025000-10,
NCGC00253967-01,
NCGC00261351-01,
(+/-)-cis-1-Acetyl-4-[4-[[2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazine,
AC-15957,
SAM001246983,
cis-1-Acetyl-4-[4-[[2-(2,4-,
AB0090681,
LS-110149,
ST2407064,
EU-0100666,
K0045,
SW196888-4,
BIM-0050645.0001,
J10202,
K 1003,
W-2941,
277K421,
Ketoconazole, Antibiotic for Culture Media Use Only,
Q-201267,
SR-01000075626-1,
SR-01000075626-4,
SR-01000597381-1,
SR-01000597381-6,
BRD-K29113274-001-03-6,
BRD-K29113274-001-11-9,
BRD-K29113274-001-21-8,
Ketoconazole, British Pharmacopoeia (BP) Reference Standard,
UNII-R9400W927I component XMAYWYJOQHXEEK-OZXSUGGESA-N,
Ketoconazole, European Pharmacopoeia (EP) Reference Standard,
Ketoconazole, United States Pharmacopeia (USP) Reference Standard,
dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-piperazine,
Ketoconazole, Pharmaceutical Secondary Standard; Certified Reference Material,
(+/-)-cis-1-Acetyl-4-(4-[(2-[2,4-dichlorophenyl]-2-[1H-imidazol-1-ylmethyl]-1,3-dioxolan-4-yl)-methoxy]phenyl)piperazine,
(2R,4S)-1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine,
1-(4-(4-(((2R,4S)-2-((1H-imidazol-1-yl)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methoxy)phenyl)piperazin-1-yl)ethan-1-one,
1-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]ethan-1-one,
cis-1-Acetyl-4-[4-[[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl] methoxy]phenyl]piperazine,
Ethanone, 1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]-,
KZ,
Piperazine, (+)-1-acetyl-4-[4-[[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-,
Ketoisdin,
Panfungol,
Orifungal M,
Brizoral,
Ketozole,
Nizoral a-D,
Onofin K,
2S,4R Ketoconazole,
Ketoconazol [INN-Spanish],
Ketoconazolum [INN-Latin],
UNII-R9400W927I,
Ketoconazole, 99% - 1G 1g,
Ketoconazole [USAN:BAN:INN:JAN],
C26-H28-Cl2-N4-O4,
CID456201,
NSC317629,
ACN-052217,
Ketoconazole [USAN:USP:INN:BAN:JAN],
A4316,
A10498,
D007654,
Piperazine, 1-acetyl-4-(4-((2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)-, cis-,
79156-75-5,
83374-59-8,
Etanona, 1-[4-[4-[[(2R, 4S)-2-(2,4-diclorofenil)-2-(1H-imidazol-1-ilmetil)]-1,3-dioxolan-4-i] metoxi] fenil]-1-piperacinil]-, rel-,
KET,
KKK,
KT,
Piperazine, 1-acetyl-4-[4-[[(2R,4S)-2- (2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1 ,3-dioxolan-4-yl]methoxy]phenyl]-, rel-,
Piperazine, 1-acetyl-4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-, rel-,
Piperazine, 1-acetyl-4-[4-[[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-, cis-,
|
| Complexity | 735 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 530.149g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 36 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 531.434g/mol |
| Monoisotopic Mass | 530.149g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 69.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
GHS Hazard and Precautionary Statements
| Symbol: | |
| Hazard statements | |
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| Signal Words | |
Certificate of Analysis
Lot Number
Product Recommendations
CERTIFICATE OF ANALYSIS
| Chemical Name: | Batch Number: | |
| Chemical Structure: | CAS Registry No: | |
| Product ID: | ||
| Manufacture Date: | ||
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Analysis Data:
| Test: | Result: |
Conclusion: The above product meets the specifications of Angene.
Analyst:Chase
Date:
Reviewed by:Jessie
Date:
Angene International Limited