![Chemical structure of 2-{1,8-diethyl-1H,3H,4H,9H-pyrano[3,4-b]indol-1-yl}acetic acid, CAS 41340-25-4](https://api.angenesci.com/structure/3422/41340-25-4.png)
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| CAS Number | 41340-25-4 |
| Catalog Number | AG0034XF(AGN-PC-04XYS3) |
| Chemical Name | 2-{1,8-diethyl-1H,3H,4H,9H-pyrano[3,4-b]indol-1-yl}acetic acid |
| IUPAC Name | 2-(1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid |
| InChI | InChI=1S/C17H21NO3/c1-3-11-6-5-7-12-13-8-9-21-17(4-2,10-14(19)20)16(13)18-15(11)12/h5-7,18H,3-4,8-10H2,1-2H3,(H,19,20) |
| InChI Key | NNYBQONXHNTVIJ-UHFFFAOYSA-N |
| MDL Number | MFCD03427612 |
| Molecular Formula | C17H21NO3 |
| Molecular Weight | 287.3535 |
| SMILES | C(C)C1(OCCC2=C1NC1=C(C=CC=C21)CC)CC(=O)O |
| Synonyms | AY 24,236,
AY 24236,
AY-24,236,
AY-24236,
Etodolac,
Etodolac, (+-)-Isomer,
Etodolac, (-)-Isomer,
Etodolac, (S)-Isomer,
Etodolac, Monosodium Salt,
Etodolac, Monosodium Salt, (+-) Isomer,
Etodolac, Monosodium Salt, (S)-Isomer,
Etodolic Acid,
Lodine,
Ramodar,
Ultradol,
etodolac,
41340-25-4,
Etodolic acid,
Lodine,
Ultradol,
Lodine XL,
Etodolaco,
Etodolacum,
N-Methyl Etodolac,
Ramodar,
AY 24236,
Etodolacum [INN-Latin],
Etodolaco [INN-Spanish],
AY-24236,
AY-24,236,
Edolan,
CCRIS 3923,
2-(1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)acetic acid,
CHEMBL622,
NSC 282126,
1,3,4,9-Tetrahydro-1,8-diethylpyrano(3,4-b)indole-1-acetic acid,
1,8-Diethyl-1,3,4,9-tetrahydropyrano(3,4-b)indole-1-acetic acid,
1,8-Diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indole-1-acetic acid,
Pyrano[3,4-b]indole-1-acetic acid, 1,8-diethyl-1,3,4,9-tetrahydro-,
MLS000028474,
CHEBI:4909,
RAK-591,
NNYBQONXHNTVIJ-UHFFFAOYSA-N,
2-{1,8-diethyl-1H,3H,4H,9H-pyrano[3,4-b]indol-1-yl}acetic acid,
(1,8-Diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)acetic acid,
2-(1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid,
Pyrano(3,4-b)indole-1-acetic acid, 1,8-diethyl-1,3,4,9-tetrahydro-,
NSC282126,
SMR000058443,
DSSTox_CID_615,
(1,8-Diethyl-1,3,4,9-tetrahydro-pyrano[3,4-b]indol-1-yl)-acetic acid,
(+-)-1,8-Diethyl-1,3,4,9-tetrahydropyrano(3,4-b)indole-1-acetic acid,
DSSTox_RID_75691,
DSSTox_GSID_20615,
Hypen,
Pyrano(3,4-b)indole-1-acetic acid, 1,3,4,9-tetrahydro-1,8-diethyl-,
Pyrano(3,4-b)indole-1-acetic acid, 1,8-diethyl-1,3,4,9-tetrahydro-(+-)-,
SR-01000000100,
Etodolac [USAN:BAN:INN],
Etodolac [USAN:INN:BAN],
Etodolsaure,
Osteluc,
Tedolan,
Zedolac,
etodolac o,
rac-Etodolac,
Etodlic Acid,
MFCD00133313,
[1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl]acetic acid,
Etodolac(Lodine),
Lodine SR,
KS-1056,
Etodolac [USAN:USP:INN:BAN],
NCGC00016849-01,
Etodolac,(S),
Prestwick_209,
Etodolacetodolic acid,
CAS-41340-25-4,
Lodine (TN),
Spectrum_001244,
Opera_ID_1774,
Prestwick0_000231,
Prestwick1_000231,
Prestwick2_000231,
Prestwick3_000231,
Spectrum2_001387,
Spectrum3_001429,
Spectrum4_000410,
Spectrum5_001347,
AC1L1FN2,
SCHEMBL3903,
Lopac0_000479,
BSPBio_000301,
BSPBio_003138,
KBioGR_000680,
KBioSS_001724,
MLS001077315,
MLS006011566,
DivK1c_000147,
SPECTRUM1501005,
Etodolac (JP17/USP/INN),
SPBio_001374,
SPBio_002222,
BPBio1_000333,
GTPL7185,
DTXSID9020615,
CTK4I4719,
HMS500H09,
KBio1_000147,
KBio2_001724,
KBio2_004292,
KBio2_006860,
KBio3_002358,
NINDS_000147,
HMS1568P03,
HMS1921B09,
HMS2092O20,
HMS2095P03,
HMS2231D04,
HMS3259P10,
HMS3261O20,
HMS3374G09,
HMS3712P03,
Pharmakon1600-01501005,
BCP28411,
Tox21_110644,
Tox21_202218,
Tox21_500479,
ANW-42024,
BDBM50016799,
CCG-39005,
CE0096,
NSC757821,
AKOS015838610,
Tox21_110644_1,
AC-4231,
CS-0832,
DB00749,
LP00479,
LS-7393,
NC00718,
NSC-282126,
NSC-757821,
RTR-036749,
IDI1_000147,
KS-0000000W,
NCGC00015399-03,
NCGC00015399-04,
NCGC00015399-05,
NCGC00015399-06,
NCGC00015399-07,
NCGC00015399-08,
NCGC00015399-09,
NCGC00015399-11,
NCGC00015399-12,
NCGC00015399-13,
NCGC00015399-15,
NCGC00015399-16,
NCGC00089769-02,
NCGC00089769-03,
NCGC00089769-04,
NCGC00089769-05,
NCGC00089769-06,
NCGC00089769-07,
NCGC00259767-01,
NCGC00261164-01,
AK550845,
AN-12214,
BC651843,
CPD000058443,
HY-76251,
SAM002589968,
SBI-0050463.P003,
AB0012214,
TR-036749,
AB00052194,
E0858,
EU-0100479,
FT-0607046,
C06991,
D00315,
E 0516,
K-8734,
Pyrano[3, 1,8-diethyl-1,3,4,9-tetrahydro-,
AB00052194_17,
340E254,
Q-201099,
SR-01000000100-2,
SR-01000000100-4,
SR-01000000100-7,
BRD-A74667430-001-05-3,
BRD-A74667430-001-15-2,
1,3,4,9-tetrahydropyrano[3,4-b]indole-1-acetic acid,
Etodolac, European Pharmacopoeia (EP) Reference Standard,
F2173-0681,
Z1820178466,
Etodolac, United States Pharmacopeia (USP) Reference Standard,
1,8-diethyl-1,3,4,9-tetrahydro-pyrano[3,4-b]indole-1-acetic acid,
1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-ylacetic acid,
1,8-Diethyl-1,3,4,9-tetrahydropyranol[3,4-b]indole-1-acetic acid,
(RS)-2-(1,8-Diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid,
2-(1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid.,
Pyrano(3,4,b)indole-1-acetic acid, 1,3,4,9-tetrahydro-1,8-diethyl-,
Etodolac for peak identification, European Pharmacopoeia (EP) Reference Standard,
etodine,
Plerixafor,
Etodolac, (S)-Isomer,
Etodolac, (-)-Isomer,
Etodolac, (+-)-Isomer,
Etodolac, Monosodium Salt,
D0N1WU,
C17H21NO3,
CID3308,
UNII-2M36281008,
C17-H21-N-O3,
CS-O-30579,
Etodolac, Monosodium Salt, (S)-Isomer,
Etodolac, Monosodium Salt, (+-) Isomer,
AY 24,236,
E-140,
Etodolac, 98%, a COX inhibitor - 25G 25g,
D017308,
2M36281008,
849630-94-0,
(+)-1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indole-1-acetic acid,
((+/-)-8-ethyl-1-methyl-1,3,4,9-tetrahydropyrano [3,4-b]-indole-1-acetic acid),
1,4,8,11-Tetraazacyclotetradecane, 1,1'-[1,4-phenylenebis(methylene)]bis-,
109518-50-5,
110078-46-1,
ETD,
|
| Complexity | 400 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 287.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 287.359g/mol |
| Monoisotopic Mass | 287.152g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 62.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
| Symbol: | |
| Hazard Class | 6.1 |
| Hazard statements | H317-H319-H350-H360 |
| Packing Group | Ⅲ |
| Precautionary statements | P280-P305+P351+P338 |
| UN Code | UN 2811 |
| Chemical Name: | Batch Number: | |
| Chemical Structure: | CAS Registry No: | |
| Product ID: | ||
| Manufacture Date: | ||
| Storage Temperature: | ||
| Formula: | ||
| Molecular Weight: | ||
| Quantity: |
| Test: | Result: |

