Basic information
- CAS
532414-36-1- Standard SMILES
COc1ccc(C[C@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1- InChIKey
BPZSYCZIITTYBL-XRLMYYCKNA-N- Molecular formula
- C19H24N2O4
- Average molar mass
- 344.4 g/mol
- Monoisotopic mass
- 344.17360725
Overview
See other relationships...
Names & identifiers
- Preferred name
- N-(2-Hydroxy-5-((1RS)-1-hydroxy-2-(((1SR)-2-(4-methoxyphenyl)-1-methylethyl)amino)ethyl)phenyl)formamide
- IUPAC
- N-[2-hydroxy-5-[(1R)-1-hydroxy-2-[[(2S)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]phenyl]formamide
- English name
- Formoterol Fumarate Dihydrate EP Impurity I
- Molecular formula
- C19H24N2O4
- Molecular weight
- 344.41
Names & synonyms
532414-36-1N-(2-Hydroxy-5-((1RS)-1-hydroxy-2-(((1SR)-2-(4-methoxyphenyl)-1-methylethyl)amino)ethyl)phenyl)formamide676M446L26FORMOTEROL FUMARATE DIHYDRATE IMPURITY I [EP IMPURITY]FORMOTEROL FUMARATE DIHYDRATE IMPURITY I (EP IMPURITY)RefChem:825450(+-)-N-(2-HYDROXY-5-(1-HYDROXY-2-((2-(4-METHOXYPHENYL)-1-METHYLETHYL)AMINO)ETHYL)PHENYL)FORMAMIDErel-(R,S)-Formoterol67346-51-4UNII-G97US9FRYV(R,S)-FormoterolG97US9FRYV
Show more names
Formoterol EP Impurity I (Enantiomer Mixture)anti-rac-Formoterol(±)-(R,S)-FormoterolFormoterol Impurity IArformoterol Impurity 22Formoterol EP Impurity 9Formoterol fumarate Impurity IFormoterol Fumarate EP Impurity IFormoterol EP Impurity I Trifluoroacetate
N-[2-hydroxy-5-[(1R)-1-hydroxy-2-[[(2S)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]phenyl]formamideFormoterol EP Impurity IN-(2-Hydroxy-5-((1R)-1-hydroxy-2-(((1S)-2-(4-methoxyphenyl)-1-methylethyl)amino)ethyl)phenyl)formamideN-(2-hydroxy-5-((R)-1-hydroxy-2-(((S)-1-(4-methoxyphenyl)propan-2-yl)amino)ethyl)phenyl)formamiden-[2-hydroxy-5-[(1r)-1-hydroxy-2-[[(1r)-2-(4-methoxyphenyl)-1-methylethyl]amino]ethyl]phenyl]formamideN-{2-hydroxy-5-[(1R)-1-hydroxy-2-{[(2S)-1-(4-methoxyphenyl)propan-2-yl]amino}ethyl]phenyl}formamideUNII-676M446L26rel-N-[2-Hydroxy-5-[(1R)-1-hydroxy-2-[[(1S)-2-(4-methoxyphenyl)-1-methylethyl]amino]ethyl]phenyl]formamide; N-[2-Hydroxy-5-[(1RS)-1-hydroxy-2-[[(1SR)-2-(4-methoxyphenyl)-1-methylethyl]amino]-ethyl]phenyl]formamide (Diastereoisomer); Formoterol Fumarate Dihydrate Imp. I (EP)
Database identifiers
- CAS
532414-36-1、67346-51-4- PubChem CID
- 3045233
- UNII
- 676M446L26、G97US9FRYV
- EC Number
- 112-493-0
- Nikkaji
- J817.046K
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 90.8 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 388
Physicochemical properties
- Boiling point
- 603.2 · 603.2±55.0 °C(Predicted)
- Density
- 1.233 · 1.233±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- DMSO (Slightly), Methanol (Slightly)
- pka
- 8.95 · 8.95±0.50(Predicted)
- form
- Solid
- color
- White to Off-White
- Major Application
- pharmaceutical (small molecule)
- InChI
- InChI=1/C19H24N2O4/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22)/t13-,19-/s3
- InChIKey
- BPZSYCZIITTYBL-XRLMYYCKNA-N
- SMILES
- C(NC1=CC([C@@H](O)CN[C@@H](C)CC2=CC=C(OC)C=C2)=CC=C1O)=O |&1:5,9,r|
- FDA UNII
- 676 M446L26 · 676M446L26
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 8 · GHS08,GHS07
- Signal word
- Danger
- Hazard statements
- 332 · H332-H361d-H370-H373-H412
- Precautionary statements
- 202 · P202-P260-P264-P273-P304+P340+P312-P308+P311
- WGK Germany
- 3 · WGK 3
- Storage Class
- 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- 4 InhalationAquatic · Acute Tox. 4 InhalationAquatic Chronic 3Repr. 2STOT RE 2STOT SE 1
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
P203, P260, P261, P264, P270, P271, P273, P280, P304+P340, P308+P316, P317, P318, P319, P321, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- WGK 3
- Signal word
- Danger
- Symbol(GHS)
- GHS08,GHS07
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard statements
- H332-H361d-H370-H373-H412
- Hazard Classifications
- Acute Tox. 4 InhalationAquatic Chronic 3Repr. 2STOT RE 2STOT SE 1
- Precautionary statements
- P202-P260-P264-P273-P304+P340+P312-P308+P311
Chemistry & industry
Applications
Usesrel-(R,S)-Formoterol is a stereoisomer of Formoterol (F693395). Formoterol is a long-acting inhaled beta-2 agonist (bronchodilator) that is used to treat patients with COPD and asthma.
Suppliers28 total
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
南京望知星医药科技有限公司18569809817 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
希瓦生物科技（广州）有限公司13268215580 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
大赛璐药物手性技术（上海）有限公司021-50460086-9 15921403865 · [email protected]
Moxin Chemicals+86-17320513646 +86-17320513646 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
山东博洛达生物科技有限公司0531-68651502 · [email protected]
深圳菲斯生物科技有限公司0755-83725350 13380397412 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 · [email protected]
南京熙泽医药科技有限公司025-66023220 15250997978 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
深圳卓越生物医药科技有限公司26050679 18318671572 · [email protected]
BOC Sciences16314854226 · [email protected]
郑州阿尔法化工有限公司0371-53778726 18003825608 · [email protected]
湖北扬信医药科技有限公司15374522761 · [email protected]
深圳市祥根生物医药有限公司0755-28967200 13631290199 · [email protected]
湖北瑞诺医药科技有限公司13165688766 · [email protected]
无锡鸣鹭医药科技有限公司0510-88726693 · [email protected]
广州市桐晖药业有限公司020-66392521-118 18922260391 · [email protected]
湖北摩科化学有限公司18627753421; 18627756402 · [email protected]
深圳市恒丰万达医药科技有限公司13986652530 · [email protected]
深圳瑞恺德生物科技有限公司0755-61348847 17820674378 · [email protected]
上海择睿生物科技有限公司021-54580889 18321124657 · [email protected]
广州市震霖医药科技有限公司020-18102736 13622807357 · [email protected]
广州奥司汀生物技术有限公司15918640830 13268843209 · [email protected]
Related reactions
0 records
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Compound notes
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