![Chemical structure of 2-(diethylamino)ethyl 3-(naphthalen-1-yl)-2-[(oxolan-2-yl)methyl]propanoate, CAS 31329-57-4](https://api.angenesci.com/structure/3366/31329-57-4.png)
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| CAS Number | 31329-57-4 |
| Catalog Number | AG00C6AN(AGN-PC-00JZTN) |
| Chemical Name | 2-(diethylamino)ethyl 3-(naphthalen-1-yl)-2-[(oxolan-2-yl)methyl]propanoate |
| EC Number | 250-572-2 |
| IUPAC Name | 2-(diethylamino)ethyl 2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoate |
| InChI | InChI=1S/C24H33NO3/c1-3-25(4-2)14-16-28-24(26)21(18-22-12-8-15-27-22)17-20-11-7-10-19-9-5-6-13-23(19)20/h5-7,9-11,13,21-22H,3-4,8,12,14-18H2,1-2H3 |
| InChI Key | KBAFPSLPKGSANY-UHFFFAOYSA-N |
| MDL Number | MFCD00868290 |
| Molecular Formula | C24H33NO3 |
| Molecular Weight | 383.5237 |
| SMILES | CCN(CCOC(C(CC1=C2C(C=CC=C2)=CC=C1)CC1OCCC1)=O)CC |
| Synonyms | Artocoron,
Azunaftil,
Di Actane,
Di-Actane,
Dusodril,
Gévatran,
LS 121,
LS-121,
LS121,
Nafronyl,
Nafronyl Oxalate,
Nafronyloxalate,
Nafti Puren,
Nafti ratiopharm,
nafti von ct,
Nafti-Puren,
Nafti-ratiopharm,
Naftidrofuryl,
Naftifurin Oxalate,
Naftilong,
Naftilux,
Naftiratiopharm,
Oxalate, Nafronyl,
Oxalate, Naftifurin,
Praxilène,
Praxilene,
nafronyl,
Naftidrofuryl,
31329-57-4,
Naphtidrofuryl,
Tridus,
Dusodril,
Gevatran,
Praxilene,
LS 84,
Naftidrofuryl [INN:BAN],
2-(Diethylamino)ethyl 3-(naphthalen-1-yl)-2-((tetrahydrofuran-2-yl)methyl)propanoate,
Naftidrofurylum [INN-Latin],
Naftidrofurilo [INN-Spanish],
EINECS 250-572-2,
BRN 1296059,
C24H33NO3,
LS-121,
Dubimax,
3-(1-Naphthyl)-2-tetrahydrofurfurylpropionic acid 2-(diethylamino)ethyl ester,
Iridus,
N-Diethylaminoethyl beta-(1-naphthyl)-beta-tetrahydrofuryl isobutyrate,
LS 121,
2-(Diethylamino)ethyl tetrahydro-alpha-(1-naphthylmethyl)-2-furanpropionate,
alpha-Tetrahydrofurfuryl-1-naphthalenepropionic acid 2-(diethylamino)ethyl ester,
2-Furanpropanoic acid, tetrahydro-.alpha.-(1-naphthalenylmethyl)-, 2-(diethylamino)ethyl ester,
2-Furanpropanoic acid, tetrahydro-alpha-(1-naphthalenylmethyl)-, 2-(diethylamino)ethyl ester,
2-Furanpropionic acid, tetrahydro-.alpha.-(1-naphthylmethyl)-, 2-(diethylamino)ethyl ester,
Tetrahydro-alpha-(1-naphthalenylmethyl)-2-furanpropanoic acid 2-(diethylamino)ethyl ester,
Tetrahydro-alpha-(1-naphthylmethyl)-2-furanpropanoic acid 2-(diethylamino)ethyl ester,
Nafronyloxalate,
Naftidrofurylum,
Naftidrofurilo,
Naftifurin Oxalate,
2-Furanpropionic acid, tetrahydro-alpha-(1-naphthylmethyl)-, 2-(diethylamino)ethyl ester,
CHEMBL1439099,
NSC225233,
EU-1806,
Oxalte,
Drosunal (TN),
Dubimax (Salt/Mix),
Naftidrofuryl (INN),
Spectrum_001731,
2-(Diethylamino)ethyl tetrahydro-.alpha.-(1-naphthylmethyl)-2-furanpropionate oxalate (1:1),
Nafronyl oxalate(USAN),
Prestwick0_000377,
Prestwick1_000377,
Prestwick2_000377,
Prestwick3_000377,
Spectrum2_000868,
Spectrum3_001598,
Spectrum4_000855,
Spectrum5_001127,
AC1L1I4D,
SCHEMBL34062,
BSPBio_000533,
BSPBio_003196,
KBioGR_001489,
KBioSS_002211,
DivK1c_000338,
SPBio_000915,
SPBio_002454,
BPBio1_000587,
CHEMBL1620794,
DTXSID3023344,
CHEBI:91817,
KBio1_000338,
KBio2_002211,
KBio2_004779,
KBio2_007347,
KBio3_002696,
KBAFPSLPKGSANY-UHFFFAOYSA-N,
NINDS_000338,
BDBM50347133,
STL344054,
AKOS005068111,
API0009843,
MCULE-6455560665,
IDI1_000338,
NCGC00178213-01,
NCGC00178213-02,
CC-32342,
LS-70563,
SBI-0051824.P002,
AB00053667,
FT-0630558,
D08244,
AB00053667_10,
C-21388,
J-018381,
BRD-A67862938-034-05-7,
BRD-A67862938-034-09-9,
2-(diethylamino)ethyl 2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoate,
2-diethylaminoethyl 2-(1-naphthylmethyl)-3-tetrahydrofuran-2-yl-propanoate,
2-diethylaminoethyl 2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoate,
N-Diethylaminoethyl .beta.-(1-naphthyl)-.beta.-tetrahydrofuryl isobutyrate,
.alpha.-Tetrahydrofurfuryl-1-naphthalenepropionic acid 2-(diethylamino)ethyl ester,
2-(1-naphthalenylmethyl)-3-(2-oxolanyl)propanoic acid 2-(diethylamino)ethyl ester,
2-(Diethylamino)ethyl 3-(1-naphthyl)-2-(tetrahydro-2-furanylmethyl)propanoate,
2-(Diethylamino)ethyl 3-(1-naphthyl)-2-(tetrahydro-2-furanylmethyl)propanoate oxalate,
2-(diethylamino)ethyl 3-(naphthalen-1-yl)-2-(tetrahydrofuran-2-ylmethyl)propanoate,
2-(diethylamino)ethyl 3-naphthalen-1-yl-2-(tetrahydrofuran-2-ylmethyl)propanoate,
2-(Diethylamino)ethyl ester tetrahydro-.alpha.-(1-naphthalenylmethyl)-2-furanpropanic acid,
2-(Diethylamino)ethyl tetrahydro-.alpha.-(1-naphthylmethyl)-2-furanpropionate,
2-(Diethylamino)ethyl tetrahydro-.alpha.-(1-naphthylmethyl)-2-furanpropionate ester,
Tetrahydro-.alpha.-(1-naphthalenylmethyl)-2-furanpropanoic acid 2-(diethylamino)ethyl ester,
Tetrahydro-.alpha.-(1-naphthylmethyl)-2-furanpropanoic acid 2-(diethylamino)ethyl ester,
Tetrahydro-|A-(1-naphthalenylmethyl)-2-furanpropanoic Acid 2-(Diethylamino)ethyl Ester,
2-Furanpropanoic acid, tetrahydro-.alpha.-(1-naphthalenylmethyl)-, 2-(diethylamino)ethyl ester, ethanedioate (1:1),
2-Furanpropionic acid, tetrahydro-.alpha.-(1-naphthylmethyl)-, 2-(diethylamino)ethyl esteroxalate (1:1),
Nafronyl oxalate,
naftidrofurile,
Naftiratiopharm,
Artocoron,
Azunaftil,
Naftilong,
Naftilux,
Nafti ratiopharm,
Nafti-ratiopharm,
Nafti Puren,
nafti von ct,
Nafti-Puren,
Di Actane,
Di-Actane,
Naftidrofuryl oxalate,
Oxalate, Nafronyl,
Oxalate, Naftifurin,
UNII-42H8PQ0NMJ,
42H8PQ0NMJ,
naftidrofuryl hydrogen oxalate,
CID4417,
LS121,
C24-H33-N-O3,
4-bromo-2-hydroxy-5-methoxybenzaldehyde,
D009257,
tetrahydro-alpha-(1-naphthylmethyl)-2-furanpropionic acid 2-(diethylamino)ethyl ester,
3200-06-4,
63272-66-2,
|
| Complexity | 465 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 383.246g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 383.532g/mol |
| Monoisotopic Mass | 383.246g/mol |
| Rotatable Bond Count | 11 |
| Topological Polar Surface Area | 38.8A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.8 |
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