Basic information
- Standard SMILES
CC(=O)N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O- InChIKey
NERGVJCCFAPEMR-AWEZNQCLSA-N- Molecular formula
- C17H13I4NO5
- Average molar mass
- 818.91 g/mol
- Monoisotopic mass
- 818.6973
Names & identifiers
- Preferred name
- N-Acetylthyroxine
- IUPAC
- (2S)-2-acetamido-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid
- English name
- N-Acetyl L-Thyroxine
- Molecular formula
- C17H13I4NO5
- Molecular weight
- 818.91
Names & synonyms
N-Acetylthyroxine26041-51-0N-Acetyl-L-thyroxineN-Acetyl-T4N-Acetyl-O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-L-tyrosineThyroxine, N-acetyl-, L-L-Tyrosine, N-acetyl-O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-UNII-G10YJB626NG10YJB626NLevothyroxine sodium impurity, N-acetyl-t4-(USP)Levothyroxine sodium impurity, N-acetyl-t4-[USP]LEVOTHYROXINE SODIUM IMPURITY, N-ACETYL-T4-(USP IMPURITY)
Show more names
Levothyroxine?USB EN-Acetyl L-Thyroxine(>90%)Levothyroxine Sodium Impurity ELevothyroxine Related Compound 5Levothyroxine N-acetamide ImpurityLEVOTHYROXINE N-ACETYL IMPURITY (USP)
LEVOTHYROXINE SODIUM IMPURITY, N-ACETYL-T4-[USP IMPURITY]RefChem:202069N-Acetyl L-Thyroxine(S)-2-Acetamido-3-(4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl)propanoic acid(2S)-2-acetamido-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acidLevothyroxine N-Acetyl ImpurityN-Acetyl-L-Thyroxine (N-Acetyllevothyroxine)C17H13I4NO5
Database identifiers
- CAS
26041-51-0- PubChem CID
- 20638380
- UNII
- G10YJB626N
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 95.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 515
Physicochemical properties
- Melting point
- 210 · 210-215 °C (decomp)
- Boiling point
- 671.8 · 671.8±55.0 °C(Predicted)
- Density
- 2.481 · 2.481±0.06 g/cm3(Predicted)
- storage temp.
- Refrigerator
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 2.95 · 2.95±0.10(Predicted)
- color
- White to Off-White
- FDA UNII
- 10 YJB626N · G10YJB626N
Chemistry & industry
Applications
UsesN-Acetyl L-Thyroxine is the Thyroxine (T425600) analogue, a thyroid hormone for use in diagnosing and treating diabetes.
Suppliers45 total
天津始加生物医药科技有限公司15022261580 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
艾吉析科技(上海)有限公司17717235263 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
梯希爱(上海)化工贸易有限公司021-61109150 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
大赛璐药物手性技术(上海)有限公司021-50460086-9 15921403865 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
四川爱元生物医药科技有限公司0838-6510595 13402890778 15102836436 · [email protected]
常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]
深圳摩科生化科技有限公司18627923403 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
西安美川生物科技有限公司029-89275612 +8618991951683 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
艾吉析科技(上海)有限公司17721401538;17717235263 17721401538 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
BOC Sciences16314854226 · [email protected]
湖北扬信医药科技有限公司07143299675 13092790750 · [email protected]
南京博米尔生物科技有限公司025-83453382-8005 · [email protected]
石家庄耀博医药科技有限公司15633056635 · [email protected]
深圳菲斯生物科技有限公司0755-4000505016 13380397412 · [email protected]
广州佳途科技股份有限公司020-81960175-877 18933936954 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
陕西缔都医药化工有限公司029-88380327 17691182729 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
湖北摩科化学有限公司18627753421; 18627756402 · [email protected]
TargetMol中国(陶术生物)4008200310 15002144251 · [email protected]
深圳瑞恺德生物科技有限公司0755-61348847 17820674378 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
上海智溯科生物科技有限公司021-58056897 15399714481 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
梯尔希(南京)药物研发有限公司18012923235 · [email protected]
南京世洲生物科技有限公司025-85560043 13675144456 · [email protected]
卡托研究化学公司+86-020-81960175-877 4000-868-328;4000-868-328 · [email protected]
DONBOO AMINO ACID COMPANY13063595538 · [email protected]
广州奥司汀生物技术有限公司15918640830 13268843209 · [email protected]
Related reactions
7 records
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