![Chemical structure of ethyl 4-{13-chloro-4-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene}piperidine-1-carboxylate, CAS 79794-75-5](https://api.angenesci.com/structure/579/79794-75-5.png)
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| CAS Number | 79794-75-5 |
| Catalog Number | AG00ID2N(AGN-PC-0UFD74) |
| Chemical Name | ethyl 4-{13-chloro-4-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene}piperidine-1-carboxylate |
| IUPAC Name | ethyl 4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidine-1-carboxylate |
| InChI | InChI=1S/C22H23ClN2O2/c1-2-27-22(26)25-12-9-15(10-13-25)20-19-8-7-18(23)14-17(19)6-5-16-4-3-11-24-21(16)20/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3 |
| InChI Key | JCCNYMKQOSZNPW-UHFFFAOYSA-N |
| MDL Number | MFCD00672869 |
| Molecular Formula | C22H23ClN2O2 |
| Molecular Weight | 382.8832 |
| SMILES | ClC1=CC=C2C(CCC3=C(/C2=C4CCN(CC\4)C(OCC)=O)N=CC=C3)=C1 |
| UNII | 7AJO3BO7QN |
| Synonyms | 4-(8-Chloro-5,6-dihydro-11H-benzo(5,6)cyclohepta(1,2-b)pyridin-11-ylidene)-1-piperidinecarboxylic Acid Ethyl Ester,
Alavert,
Claritin,
Clarium,
Loratadine,
Sch 29851,
Sch-29851,
Sch29851,
loratadine,
79794-75-5,
Claritin,
Loratidine,
Alavert,
Clarityn,
Lisino,
Clarityne,
Loracert,
Loradex,
Bonalerg,
Claritine,
Fristamin,
Histaloran,
Lertamine,
Lorastine,
Loratyne,
Civeran,
Loranox,
Versal,
Allertidin,
Polaratyne,
Aerotina,
Alerpriv,
Anhissen,
Biloina,
Claratyne,
Clarinase,
Lesidas,
Loradif,
Lorantis,
Loraver,
Lorfast,
Loritine,
Lowadina,
Nularef,
Optimin,
Restamine,
Rhinase,
Rinomex,
Sanelor,
Sensibit,
Sohotin,
Velodan,
Alarin,
Lergy,
Pylor,
Tadine,
Sch 29851,
Zeos,
Sinhistan Dy,
Bedix Loratadina,
Talorat Dy,
Claritin Reditabs,
Clarinase Reperabs,
Loratadina,
Loratadinum,
Loratadinum [Latin],
Claratyne Cold,
Claritin reditab,
Loratadina [Spanish],
Clarityne-D,
Sch-29851,
Children's Claritin,
Claratyne Decongestant,
Clarityne Dy Repetabs,
UNII-7AJO3BO7QN,
ethyl 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)piperidine-1-carboxylate,
HSDB 3578,
MFCD00672869,
7AJO3BO7QN,
Ethyl 4-(8-chloro-5,6-dihydro-11H-benzo(5,6)cyclohepta(1,2-b)pyridin-11-ylidene)-1-piperidinecarboxylate,
CHEMBL998,
C22H23ClN2O2,
MLS000069647,
JCCNYMKQOSZNPW-UHFFFAOYSA-N,
Loratadine-d4,
1-Piperidinecarboxylic acid, 4-(8-chloro-5,6-dihydro-11H-benzo(5,6)cyclohepta(1,2-b)pyridin-11-ylidene)-, ethyl ester,
1-Piperidinecarboxylic acid, 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-, ethyl ester,
NCGC00015619-09,
Clarium,
SMR000058255,
DSSTox_CID_3224,
DSSTox_RID_76931,
DSSTox_GSID_23224,
Loratadine Redidose,
4-(8-Chloro-5,6-dihydro-11H-benzo(5,6)cyclohepta(1,2-b)pyridin-11-ylidene)-1-piperidinecarboxylic Acid Ethyl Ester,
Claritin Hives Relief,
Roletra,
Bactimicina allergy,
Claritin (TN),
Ethyl 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-1-piperidinecarboxylate,
ethyl 4-(8-chloro-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridin-11-ylidene)piperidine-1-carboxylate,
ethyl 4-{13-chloro-4-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene}piperidine-1-carboxylate,
Claritin Hives Relief Reditab,
Sch29851,
Loratadine [USAN:BAN:INN],
CAS-79794-75-5,
SR-01000075968,
Cronopen,
Flonidan,
Klaritin,
Loratadine (JAN/USAN/INN),
Alavert;Claritin,
Topcare childrens allergy relief,
Loratadine,(S),
Loratadine [USAN:USP:INN:BAN],
4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-1-piperidinecarboxylic acid ethyl ester,
Spectrum_001496,
Tocris-1944,
Opera_ID_1868,
Spectrum2_001584,
Spectrum3_000740,
Spectrum4_000177,
Spectrum5_001650,
Lopac-L-9664,
L 9664,
AC1L1H3E,
SCHEMBL4596,
Lopac0_000680,
Oprea1_027965,
REGID_for_CID_3957,
BSPBio_002300,
KBioGR_000693,
KBioSS_001976,
MLS000758260,
MLS001148466,
MLS001423984,
BIDD:GT0198,
DivK1c_000792,
SPECTRUM1503712,
SPBio_001548,
CHEBI:6538,
GTPL7216,
DTXSID2023224,
BDBM22876,
CTK8G0633,
HMS502H14,
KBio1_000792,
KBio2_001976,
KBio2_004544,
KBio2_007112,
KBio3_001520,
KS-00000JOZ,
NINDS_000792,
HMS2051G11,
HMS2090O18,
HMS2093I15,
HMS2235G23,
HMS3262G21,
HMS3268M16,
HMS3371D13,
HMS3393G11,
HMS3654L17,
HMS3676N06,
HMS3714E09,
Pharmakon1600-01503712,
ZINC537931,
Loratadine 0.1 mg/ml in Methanol,
ACT04775,
BCP22338,
Tox21_110185,
Tox21_301532,
Tox21_500680,
BBL010757,
CCG-39362,
CL0028,
DL-436,
FC1275,
HTS028367,
NSC721075,
NSC758628,
s1358,
STK574925,
AKOS005499513,
Loratadine, >=98% (HPLC), powder,
Tox21_110185_1,
AB06849,
AC-2086,
BCP9000858,
CCG-100786,
CS-0887,
DB00455,
KS-1079,
LP00680,
MCULE-5073177964,
NC00036,
NSC-721075,
NSC-758628,
IDI1_000792,
NCGC00015619-01,
NCGC00015619-02,
NCGC00015619-03,
NCGC00015619-04,
NCGC00015619-05,
NCGC00015619-06,
NCGC00015619-07,
NCGC00015619-08,
NCGC00015619-10,
NCGC00015619-11,
NCGC00015619-12,
NCGC00015619-13,
NCGC00023125-02,
NCGC00023125-04,
NCGC00023125-05,
NCGC00023125-06,
NCGC00023125-07,
NCGC00255171-01,
NCGC00261365-01,
1-piperidinecarboxylic acid,4-(8-chloro-5,6-dihydro-11H-benzo(5,6)cyclohepta(1,2-b)pyridin-11-ylidene)-,ethyl ester,
4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cycloheptal[1,2-b]pyridin-11-ylidene-1-piperidinecarboxylic acid ethyl ester,
AJ-23376,
AK-88666,
AN-14336,
CPD000058255,
HY-17043,
NCI60_041473,
SAM001246987,
SC-13436,
SY052751,
ZB014352,
BCP0726000007,
SBI-0050659.P003,
AB0012486,
AB2000066,
LS-114660,
ST2413201,
TL8005389,
EU-0100680,
FT-0627976,
L0223,
SW197416-3,
MFCD00672869 (98%),
D00364,
J10034,
M-5196,
AB00053224-15,
AB00053224-16,
AB00053224_17,
AB00053224_18,
794L755,
L000667,
I14-0747,
Q-100833,
SR-01000075968-1,
SR-01000075968-3,
SR-01000075968-4,
SR-01000075968-6,
BRD-K82795137-001-02-3,
BRD-K82795137-001-10-6,
Z1741979837,
Loratadine, British Pharmacopoeia (BP) Reference Standard,
Loratadine, European Pharmacopoeia (EP) Reference Standard,
Loratadine, United States Pharmacopeia (USP) Reference Standard,
Loratadine, Pharmaceutical Secondary Standard; Certified Reference Material,
Loratadine for system suitability, European Pharmacopoeia (EP) Reference Standard,
1-Piperidenecarboxylic acid,6-duhydro-11H-benzo [5,6]cyclohepta[1,2-b]-pyridin-11-ylidene)-, ethyl ester,
1-Piperidinecarboxylic acid,4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-, ethyl ester,
11-[N-(ethoxycarbonyl)-4-piperidylidene]-8-chloro-6,11-dihydro-5H-benzo-[5,6]cyclohepta[1,2-b]pyridine,
4-(8-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene-1-piperidinecarboxylic acid ethyl ester,
4-(8-Chloro-5,6-dihydro-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-piperidine-1-carboxylic acid ethyl ester,
4-(8-chloro-5,6-dihydrobenzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)piperidine-1-carboxylic acid ethyl ester,
8-chloro-11-(1-ethoxycarbonyl-4-piperidylidene)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine,
8-chloro-6,11-dihydro-11-(1- ethoxycarbonyl-4-piperidylidene)-5H-benzo[5,6]cyclohepta[1,2-b]pyridine,
8-Chloro-6,11-dihydro-11-(1-ethoxycarbonyl-4-piperidylidene)-5H-benzo[5,6]cyclohepta[1,2-b]pyridine,
Ethyl 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidine)-1-piperidinecarboxylate,
ethyl 4-(8-chloro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11(6H)-ylidene)piperidine-1-carboxylate,
ethyl 4-{13-chloro-4-azatricyclo[9.4.0.0(3),]pentadeca-1(15),3,5,7,11,13-hexaen-2-ylidene}piperidine-1-carboxylate,
ethyl 4-{13-chloro-4-azatricyclo[9.4.0.0;{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene}piperidine-1-carboxylate,
Ethyl-4-(8-chloro-5,6-dihydro-11H-benzo [5,6] cyclohepta [1,2-b]pyridin-11-ylidene)-1-piperidinecarboxylate,
loratadine impurity c;4-(4,8-dichloro-5,6-dihydro-11h-benzo(5,6)cyclohepta(1,2-b)pyridin-11-ylidene)-1-piperidinecarboxylic acid ethyl ester,
Claritin D,
Claritin-D,
amantadine,
Lomilan,
Mixture Name,
Claritine (TN),
Clarityne (TN),
Fristamin (TN),
Symphoral (TN),
Clarityn (TN),
Flonidan (TN),
Alavert (TN),
AllergyX (TN),
Lomilan (TN),
Lorfast (TN),
Rinolan (TN),
Roletra (TN),
Tidilor (TN),
Claritin-D (TN),
Loratadine Wyeth Brand,
loratadine hydrochloride,
Wyeth Brand of Loratadine,
D06ABF,
Desloratadine EP Impurity C,
CLARITIN-D 24 HOUR,
Alavert, Claritin, Loratadine,
Loratadine [USAN:INN:BAN],
CID3957,
C22-H23-Cl-N2-O2,
ACN-048230,
CS-O-01778,
CS-O-03616,
CS-O-07780,
A2960,
A10538,
D017336,
Loratadine, 98%, a highly potent selective H1 receptor antagonist - 1g 1g,
1-Piperidenecarboxylic acid, 4-(8-chloro-5,6-duhydro-11H-benzo [5,6]cyclohepta[1,2-b]-pyridin-11-ylidene)-, ethyl ester,
165739-83-3,
4-(8-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene-1-piperidinecarboxylic acidethyl ester,
|
| Complexity | 569 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 382.145g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 382.888g/mol |
| Monoisotopic Mass | 382.145g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.2 |
| Symbol: | |
| Hazard statements | |
| Precautionary statements | |
| Chemical Name: | Batch Number: | |
| Chemical Structure: | CAS Registry No: | |
| Product ID: | ||
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