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| CAS Number | 132-60-5 |
| Catalog Number | AG003OWR(AGN-PC-0JK8MN) |
| Chemical Name | Cinchophen |
| EC Number | 205-067-1 |
| IUPAC Name | 2-phenylquinoline-4-carboxylic acid |
| InChI | InChI=1S/C16H11NO2/c18-16(19)13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H,(H,18,19) |
| InChI Key | YTRMTPPVNRALON-UHFFFAOYSA-N |
| MDL Number | MFCD00006750 |
| Molecular Formula | C16H11NO2 |
| Molecular Weight | 249.2640 |
| SMILES | O=C(C1=CC(C2=CC=CC=C2)=NC3=CC=CC=C13)O |
| UNII | 39Y533Z02M |
| Synonyms | aciphenochinolium,
Atofan,
cinchophen,
Cinchophen,
132-60-5,
2-Phenylquinoline-4-carboxylic acid,
2-Phenyl-4-quinolinecarboxylic acid,
Cinconal,
2-Phenylcinchoninic acid,
Cinchophene,
Phenoquin,
Quinofen,
Quinophan,
Quinophen,
Tervalon,
Atofan,
Atophan,
Cinchophenic acid,
Aciphenochinolinium,
Polyphlogin,
Aminophan,
Artexin,
Cincosal,
Ikterosan,
Mylofanol,
Phenophan,
Rhematan,
Rheumin,
Tophosan,
Traubofan,
Viophan,
Agotan,
Alutyl,
Artam,
Atigoa,
Atocin,
Tophol,
Vantyl,
Aciphenochinoline,
CINCOPHEN,
Cinchopen,
2-Phenylcinchonic acid,
Acifenokinolin,
Artamin,
4-Quinolinecarboxylic acid, 2-phenyl-,
Cinchoninic acid, 2-phenyl-,
Aciphenochinolinum,
Cincofene [DCIT],
2-Phenyl-quinoline-4-carboxylic acid,
Cincofeno [INN-Spanish],
Cinchophene [INN-French],
Cinchophenum [INN-Latin],
NSC 2617,
UNII-39Y533Z02M,
HSDB 2085,
2-Phenylquinoline-4-carboxlic acid,
EINECS 205-067-1,
BRN 0192803,
AI3-15400,
MLS000053018,
CHEMBL348000,
C16H11NO2,
YTRMTPPVNRALON-UHFFFAOYSA-N,
MFCD00006750,
39Y533Z02M,
NCGC00018221-06,
NCGC00018221-08,
SMR000059017,
DSSTox_CID_20705,
DSSTox_RID_79555,
DSSTox_GSID_40705,
Cinchophenum,
Cincofene,
Cincofeno,
WLN: T66 BNJ CR & EVQ,
CAS-132-60-5,
Phenylcinchoninic Acid,
Cinchophen [INN:BAN],
SR-01000000141,
Cinchophen [INN:BAN:NF],
Rheumatan,
Alutyo,
Cinchophen (BAN),
ACMC-209bpl,
Opera_ID_819,
N-Cyclohexyl-2-phenyl-4-chinolincarboxamid,
AC1L1RBD,
Cambridge id 5117240,
TimTec1_001239,
Oprea1_652483,
SCHEMBL25519,
5-22-03-00484 (Beilstein Handbook Reference),
MLS000069591,
MLS001074296,
AC1Q72O1,
DTXSID0040705,
CTK0H5112,
NSC2617,
CHEBI:114195,
HMS1537I07,
HMS2236H09,
HMS3264N13,
HMS3369G13,
HMS3652D09,
Pharmakon1600-01504508,
ZINC125047,
HY-B0972,
KS-00000UU3,
NSC-2617,
NSC70178,
ZERO/001604,
Tox21_110841,
Tox21_400022,
ANW-19447,
BBL011719,
BDBM50097100,
CCG-34161,
CP-454,
NSC-70178,
NSC758887,
SBB000885,
STK076256,
2-phenyl-4-quinoline-carboxylic acid,
2-Phenylquinolinecarboxylic acid-(4),
4-Quinolinecarboxylicacid, 2-phenyl-,
AKOS000264299,
Tox21_110841_1,
CS-4461,
MCULE-5908309566,
NE10455,
NSC-758887,
RTR-004454,
SB18446,
NCGC00018221-01,
NCGC00018221-02,
NCGC00018221-03,
NCGC00018221-04,
NCGC00018221-05,
NCGC00018221-07,
NCGC00018221-09,
NCGC00018221-10,
NCGC00018221-13,
NCGC00021229-04,
NCGC00021229-05,
NCGC00021229-06,
LS-53808,
ST013890,
2-Phenyl-4-quinolinecarboxylic acid, 99%,
SBI-0207075.P001,
DB-000656,
TR-004454,
EU-0096447,
FT-0623825,
P1301,
S4190,
SW089640-2,
X6853,
4-Quinolinecarboxylic acid, 2-phenyl- (9CI),
A16453,
D07280,
AB00275103-10,
AB00275103-16,
AB00275103_18,
AB00275103_19,
AE-641/00678051,
J-006195,
SR-01000000141-2,
SR-01000000141-4,
BRD-K72915123-001-01-7,
BRD-K72915123-001-11-6,
I14-11373,
Z56782585,
F0391-0013,
Cincain,
aciphenochinolium,
Cincain (TN),
Cinchophen [BAN:INN],
CID8593,
C16-H11-N-O2,
ACN-001657,
B1705,
C084834,
|
| Complexity | 325 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.269g/mol |
| Monoisotopic Mass | 249.079g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
| Symbol: | |
| Hazard Class | |
| Hazard statements | H302 |
| Packing Group | |
| Precautionary statements | P264-P270-P301+P312+P330-P501 |
| UN Code |
| Chemical Name: | Batch Number: | |
| Chemical Structure: | CAS Registry No: | |
| Product ID: | ||
| Manufacture Date: | ||
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