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| CAS Number | 85-79-0 |
| Catalog Number | AG008GKQ(AGN-PC-0JK6F0) |
| Chemical Name | Cinchocaine |
| IUPAC Name | 2-butoxy-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide |
| InChI | InChI=1S/C20H29N3O2/c1-4-7-14-25-19-15-17(16-10-8-9-11-18(16)22-19)20(24)21-12-13-23(5-2)6-3/h8-11,15H,4-7,12-14H2,1-3H3,(H,21,24) |
| InChI Key | PUFQVTATUTYEAL-UHFFFAOYSA-N |
| MDL Number | MFCD00047595 |
| Molecular Formula | C20H29N3O2 |
| Molecular Weight | 343.4632 |
| NSC Number | 159055 |
| SMILES | O=C(C1=CC(OCCCC)=NC2=CC=CC=C12)NCCN(CC)CC |
| UNII | L6JW2TJG99 |
| Synonyms | Cincain,
Cinchocaine,
Dibucaine,
Nupercainal,
Nupercaine,
Sovcaine,
dibucaine,
Cinchocaine,
85-79-0,
Nupercaine,
Dermacaine,
Nupercainal,
Sovcaine,
Dibucaine Base,
Dibucain,
Percamine,
Cinchocainum,
Cincainum,
Cincocainio,
Dibucainum,
Dibucaine [USP],
Nupercainal (VAN),
Cincocaina [DCIT],
Cincain,
Cinchocainum [INN-Latin],
Cincocainio [INN-Spanish],
2-Butoxyquinoline-4-carboxylic acid diethylaminoethylamide,
2-butoxy-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide,
UNII-L6JW2TJG99,
Dibucaine (USP),
2-butoxy-N-(2-(diethylamino)ethyl)quinoline-4-carboxamide,
Cinchocaine (INN),
NSC 159055,
Cinchocaine hydrochloride,
2-Butoxy-N-(beta-diethylaminoethyl)cinchoninamide,
2-N-Butoxy-N-(2-diethylaminoethyl)cinchoninamide,
2-Butoxy-N-(2-(diethylamino)ethyl)cinchoninamide,
N-(2-(Diethylamino)ethyl)-2-butoxycinchoninamide,
Cinchocaine HCL,
alpha-Butyloxycinchoninic acid diethylethylenediamide,
HSDB 3312,
C20H29N3O2,
alpha-Butyloxycinchonic acid-gamma-diethylethylenediamine,
EINECS 201-632-1,
4-Quinolinecarboxamide, 2-butoxy-N-[2-(diethylamino)ethyl]-,
BRN 0275489,
L6JW2TJG99,
2-butoxy-N-(2-diethylaminoethyl)quinoline-4-carboxamide,
MLS000028425,
2-Butoxy-N-[2-(diethylamino)ethyl]-4-quinolinecarboxamide,
4-Quinolinecarboxamide, 2-butoxy-N-(2-(diethylamino)ethyl)-,
CHEBI:247956,
2-Butoxy-N-[2-(diethylamino)ethyl]cinchoninamide,
N-[2-(Diethylamino)ethyl]-2-butoxycinchoninamide,
Cinchocaine [INN],
Cinchoninamide, 2-butoxy-N-(2-(diethylamino)ethyl)-,
Cincaine chloride,
CAS-85-79-0,
NCGC00016338-01,
AK161941,
Cincocaina,
SMR000058391,
2-Butoxy-quinoline-4-carboxylic acid (2-diethylamino-ethyl)-amide,
DSSTox_CID_25271,
DSSTox_RID_80780,
DSSTox_GSID_45271,
2-Butoxy-N-(.beta.-diethylaminoethyl)cinchoninamide,
Q-100863,
.alpha.-Butyloxycinchoninic acid diethylethylenediamide,
Cinchoninamide, 2-butoxy-N-[2-(diethylamino)ethyl]-,
Heavy Solution Nupercaine,
Nupercaine (TN),
SR-01000003037,
Prestwick_164,
Cinchocaine(Dibucaine),
2-butoxy-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide;hydrochloride,
Spectrum_000928,
Opera_ID_192,
Prestwick0_000076,
Prestwick1_000076,
Prestwick2_000076,
Prestwick3_000076,
Spectrum2_001001,
Spectrum3_000384,
Spectrum4_000505,
Spectrum5_000865,
CHEMBL1086,
SCHEMBL34473,
BSPBio_000291,
BSPBio_002167,
KBioGR_001049,
KBioSS_001408,
2-butoxy-N-(alpha-diethylaminoethyl)cinchoninamide,
4-22-00-02284 (Beilstein Handbook Reference),
MLS001148085,
DivK1c_000332,
SPBio_001121,
SPBio_002212,
AC1L1F05,
BPBio1_000321,
cid_521951,
GTPL7159,
DTXSID3045271,
BDBM48532,
CTK8F9135,
KBio1_000332,
KBio2_001408,
KBio2_003976,
KBio2_006544,
KBio3_001387,
NINDS_000332,
PUFQVTATUTYEAL-UHFFFAOYSA-N,
HMS1568O13,
HMS2095O13,
HMS2233F03,
HMS3370I12,
HMS3712O13,
ACT04722,
HY-B0552,
ZINC1530939,
Tox21_110381,
MFCD00047595,
NSC159055,
STL483757,
AKOS015897110,
Tox21_110381_1,
AC-2093,
CCG-220076,
CS-2656,
DB00527,
MCULE-4397469465,
NSC-159055,
IDI1_000332,
KS-00000L64,
NCGC00016338-02,
NCGC00016338-03,
NCGC00016338-04,
NCGC00016338-05,
NCGC00016338-06,
NCGC00016338-07,
NCGC00016338-10,
WLN: T66 BNJ CO4 EVM2N2&2,
AJ-26713,
AN-14281,
AS-17426,
BAS 00401270,
CC-26504,
LS-53768,
SC-24437,
SY107339,
SBI-0051340.P003,
AX8042063,
AB00053453,
B3373,
FT-0603086,
ST24046324,
ST51037211,
MFCD00047595 (95%),
C07879,
D00733,
AB00053453_24,
AB00053453_25,
C-20421,
I08-0059,
SR-01000003037-6,
BRD-K99121711-001-03-5,
BRD-K99121711-003-02-3,
BRD-K99121711-003-12-2,
4-Quinolinecarboxamide,2-butoxy-N-[2-(diethylamino)ethyl]-,
N-[2-(diethylamino)ethyl](2-butoxy(4-quinolyl))carboxamide,
2-Butoxy-N-[2-(diethylamino)ethyl]-4-quinolinecarboxamide #,
2-butoxy-N-[2-(diethylamino)ethyl]cinchoninamide;hydrochloride,
2-butoxy-N-[2-(diethylamino)ethyl]quinoline-4-carboximidic acid,
2-butoxy-N-[2-(diethylamino)ethyl]-4-quinolinecarboxamide;hydrochloride,
QUINOLINE,2-BUTOXY,4-CARBOXY,(N-TRIETHYLAMINO) AMIDE CINCHOCAIN,
InChI=1/C20H29N3O2/c1-4-7-14-25-19-15-17(16-10-8-9-11-18(16)22-19)20(24)21-12-13-23(5-2)6-3/h8-11,15H,4-7,12-14H2,1-3H3,(H,21,24,
Dibucaine HCl,
Dibucaine hydrochloride,
cinchocain-,
Nupercainal (TN),
Sovcaine (TN),
Cincain (TN),
AMLODIPINE BESYLATE,
D0P5GE,
Dibucaine(Cinchocaine) Base,
Dibucaine (Cinchocaine) HCl,
MLS000028429,
CID3025,
C20-H29-N3-O2,
CS-O-06228,
SMR000058369,
A8407,
V0074,
2-butoxy-N-(2-diethylaminoethyl)cinchoninamide,
2-Butoxy-N-(beta.-diethylaminoethyl)cinchoninamide,
D003992,
QUINOLINE,2-BUTOXY,4-CARBOXY,(N-TRIETHYLAMINO) AMIDE CINCHOCAIN,
111470-99-6,
61-12-1,
|
| Complexity | 387 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 343.226g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 343.471g/mol |
| Monoisotopic Mass | 343.226g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 54.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
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