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| CAS Number | 136434-34-9 |
| Catalog Number | AG0070YP(AGN-PC-0PKXFX) |
| Chemical Name | Duloxetine, HCl |
| EC Number | 603-962-5 |
| IUPAC Name | (3S)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine;hydrochloride |
| InChI | InChI=1S/C18H19NOS.ClH/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16;/h2-10,13,17,19H,11-12H2,1H3;1H/t17-;/m0./s1 |
| InChI Key | BFFSMCNJSOPUAY-LMOVPXPDSA-N |
| MDL Number | MFCD06407958 |
| Molecular Formula | C18H20ClNOS |
| Molecular Weight | 333.8755 |
| SMILES | O([C@@H](CCNC)C1=CC=CS1)C=2C3=C(C=CC2)C=CC=C3.Cl |
| UNII | 9044SC542W |
| Synonyms | Cymbalta,
duloxetine,
Duloxetine Ethanedioate (1:1), (+-)-isomer - T353987,
Duloxetine HCl,
duloxetine hydrochloride,
duloxetine, (+)-isomer,
HCl, Duloxetine,
Hydrochloride, Duloxetine,
LY 227942,
LY 248686,
LY-227942,
LY-248686,
LY227942,
LY248686,
N-methyl-3-(1-naphthalenyloxy)-2-thiophenepropanamine,
N-methyl-3-(1-naphthalenyloxy)-3-(2-thiophene)propanamide,
DULOXETINE HYDROCHLORIDE,
136434-34-9,
Duloxetine HCl,
Cymbalta,
(S)-N-Methyl-3-(naphthalen-1-yloxy)-3-(thiophen-2-yl)propan-1-amine hydrochloride,
(S)-duloxetine hydrochloride,
Duloxetine (hydrochloride),
(S)-Duloxetine HCl,
Duloxetine hydrochloride [USAN],
UNII-9044SC542W,
CPD000469136,
CHEBI:31526,
Ariclaim,
Xeristar,
9044SC542W,
Yentreve (TN),
C18H20ClNOS,
C18H19NOS.HCl,
DSSTox_CID_26443,
DSSTox_RID_81618,
DSSTox_GSID_46443,
Q-102508,
LY-248686,
(+)-(S)-N-Methyl-gamma-(1-naphthyloxy)-2-thiophenepropylamine hydrochloride,
(3S)-N-methyl-3-(1-naphthyloxy)-3-(2-thienyl)propan-1-amine hydrochloride,
(S)-N-METHYL-3-(NAPHTHALEN-1-YLOXY)-3-(THIOPHEN-2-YL)PROPAN-1-AMINE HCL,
2-Thiophenepropanamine, N-methyl-gamma-(1-naphthalenyloxy)-, hydrochloride, (gammaS)-,
2-Thiophenepropanamine, N-methyl-gamma-(1-naphthalenyloxy)-, hydrochloride, (S)-,
SMR000469136,
Dulane 20,
CAS-136434-34-9,
NCGC00164559-01,
Duloxetine, HCl,
LY 248686 HCl,
Cymbalta (TN),
duloxetine-hcl-cymbalta,
duloxetine hydrochlorise,
AC1Q3DMM,
Duloxetine HCl (Cymbalta),
AC1L1U0N,
MLS001401452,
MLS006010054,
(S)-Duloxetine (hydrochloride),
LY248686 HCl,
CHEMBL1200328,
DTXSID9046443,
HY-B0161A,
EBD2816,
LY-248686 HCl,
(3S)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine;hydrochloride,
BFFSMCNJSOPUAY-LMOVPXPDSA-N,
Pharmakon1600-01505387,
EBD29778,
Tox21_112188,
AC-924,
AN-253,
ANW-52464,
CD0196,
Duloxetine hydrochloride (JAN/USAN),
MFCD06407958,
NSC744012,
NSC759112,
s2084,
AKOS016340453,
Tox21_112188_1,
AB23771,
API0002507,
CCG-101106,
CS-1993,
KS-1168,
NC00356,
NSC-744012,
NSC-759112,
NCGC00164559-03,
(S)-(+)-DULOXETINE HYDROCHLORIDE,
AK-72899,
BR-72899,
SAM001246523,
SC-00924,
AB0008489,
AB2000488,
AX8017673,
LS-172959,
LY-264453,
TC-141209,
D-170,
D4223,
FT-0648818,
ST24026653,
SW197393-3,
Cymbalta|||Dulane 20|||LY 248686 HCl,
(S)-Duloxetine hydrochloride, >=98% (HPLC),
A11717,
D01179,
J10476,
S-4928,
434D349,
Duloxetine Hydrochloride 1.0 mg/ml in Methanol (as free base),
(+)-(S)-N-Methyl-3-(1-naphthyloxy)-3-(2-thienyl)propanamine hydrochloride,
(+)-N-methyl-gamma-(1-napthlenloxy)-2-thiophenepropan-amine hydrochloride,
Duloxetine hydrochloride, European Pharmacopoeia (EP) Reference Standard,
(+)-(S)-N-methyl-.gamma.-(1-naphthyloxy)-2-thiophenepropylamine hydrochloride,
(3S)-N-methyl-3-(naphthalen-1-yloxy)-3-(2-thienyl)propan-1-amine hydrochloride,
(3S)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amin hydrochloride.,
(3S)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine hydrochloride,
(S)-(+)-N-methyl-3-(1-naphthalenyloxy)-3-(2-thienyl) propanamine hydrochloride,
(S)-(+)-N-Methyl-3-(1-naphthyloxy)-3-(2-thienyl)propylamine Hydrochloride,
Duloxetine for system suitability, European Pharmacopoeia (EP) Reference Standard,
Duloxetine Hydrochloride, Pharmaceutical Secondary Standard; Certified Reference Material,
Duloxetine hydrochloride, United States Pharmacopeia (USP) Reference Standard,
methyl[(3S)-3-(naphthalen-1-yloxy)-3-(thiophen-2-yl)propyl]amine hydrochloride,
duloxetine,
Yentreve,
(R)-duloxetine,
C18-H19-N-O-S.Cl-H,
CID60834,
N-Methyl-gama- -2-thiophenepropanamine,
Duloxetine hydrochloride, 99% - 1G 1g,
LY248686,
(S)-Duloxetine hydrochloride, 98% 10mg,
A8421,
116539-59-4,
(S)-N-Methyl-3-(naphthalen-1-yloxy)-3-(thiophen-2-yl)propan-1-amine,
2-tiofenpropanamina, n-metil-?-(1-naftaleniloxi)-, clorhidrato (1:1), (?s)-,
116539-60-7,
|
| Complexity | 312 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 333.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 333.874g/mol |
| Monoisotopic Mass | 333.095g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 49.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Symbol: | |
| Hazard Class | \N |
| Hazard statements | H302 |
| Packing Group | \N |
| Precautionary statements | P280-P305+P351+P338 |
| UN Code | \N |
| Chemical Name: | Batch Number: | |
| Chemical Structure: | CAS Registry No: | |
| Product ID: | ||
| Manufacture Date: | ||
| Storage Temperature: | ||
| Formula: | ||
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