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Tyrosoler og derivater

Organiske forbindelser, der består af en phenolring med en ethylfunktionel gruppesubstitution, der efterfølgende bindes til en hydroxylgruppe.

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1

N-Nitrosometoprolol, TRC

CAS: 138768-62-4 Molekylær formel: C15H24N2O4 Molekylvægt (g/mol): 296.36 Synonym: 2-Propanol, 1-[4-(2-methoxyethyl)phenoxy]-3-[(1-methylethyl)nitrosoamino]-,1-[4-(2-Methoxyethyl)phenoxy]-3-[(1-methylethyl)nitrosoamino]-2-propanol IUPAC navn: N-[2-hydroxy-3-[4-(2-methoxyethyl)phenoxy]propyl]-N-propan-2-ylnitrous amid SMIL: COCCc1ccc(OCC(O)CN(N=O)C(C)C)cc1

Molekylvægt (g/mol) 296.36
CAS 138768-62-4
Synonym 2-Propanol, 1-[4-(2-methoxyethyl)phenoxy]-3-[(1-methylethyl)nitrosoamino]-,1-[4-(2-Methoxyethyl)phenoxy]-3-[(1-methylethyl)nitrosoamino]-2-propanol
SMIL COCCc1ccc(OCC(O)CN(N=O)C(C)C)cc1
IUPAC navn N-[2-hydroxy-3-[4-(2-methoxyethyl)phenoxy]propyl]-N-propan-2-ylnitrous amid
Molekylær formel C15H24N2O4
2

N-desisopropylmetoprolol, TRC

CAS: 74027-60-4 Molekylær formel: C12 H19 N O3 Molekylvægt (g/mol): 225.28 Synonym: 2-Propanol, 1-amino-3-[4-(2-methoxyethyl)phenoxy]-,N-Desisopropylmetoprolol IUPAC navn: 1-amino-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol SMIL: COCCc1ccc(OCC(O)CN)cc1

Molekylvægt (g/mol) 225.28
CAS 74027-60-4
Synonym 2-Propanol, 1-amino-3-[4-(2-methoxyethyl)phenoxy]-,N-Desisopropylmetoprolol
SMIL COCCc1ccc(OCC(O)CN)cc1
IUPAC navn 1-amino-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol
Molekylær formel C12 H19 N O3
3

2-Methylisoindol-1,3-dion, TRC

CAS: 550-44-7 Molekylær formel: C9 H7 N O2 Molekylvægt (g/mol): 161.16 Synonym: 2-Methyl-1H-isoindole-1,3(2H)-dione,Phthalimide, N-methyl- (6CI,7CI,8CI),2-Methyl-1H-isoindole-1,3(2H)-dione,2-Methylisoindole-1,3-dione,2-Methylisoindoline-1,3-dione,N-Methylphthalimide,NSC 44059 IUPAC navn: 2-methylisoindol-1,3-dion SMIL: CN1C(=O)c2ccccc2C1=O

Molekylvægt (g/mol) 161.16
CAS 550-44-7
Synonym 2-Methyl-1H-isoindole-1,3(2H)-dione,Phthalimide, N-methyl- (6CI,7CI,8CI),2-Methyl-1H-isoindole-1,3(2H)-dione,2-Methylisoindole-1,3-dione,2-Methylisoindoline-1,3-dione,N-Methylphthalimide,NSC 44059
SMIL CN1C(=O)c2ccccc2C1=O
IUPAC navn 2-methylisoindol-1,3-dion
Molekylær formel C9 H7 N O2
4

Betaxolol, TRC

CAS: 63659-18-7 Molekylær formel: C18 H29 N O3 Molekylvægt (g/mol): 307.43 Synonym: (±)-Betaxolol,1-Isopropylamino-3-[4-(2-cyclopropylmethoxy-ethyl)phenoxy]-2-propanol,Betaxolol,Betoptic S,2-Propanol, 1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-3-[(1-methylethyl)amino]- IUPAC navn: 1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol SMIL: CC(C)NCC(O)COc1ccc(CCOCC2CC2)cc1

Molekylvægt (g/mol) 307.43
CAS 63659-18-7
Synonym (±)-Betaxolol,1-Isopropylamino-3-[4-(2-cyclopropylmethoxy-ethyl)phenoxy]-2-propanol,Betaxolol,Betoptic S,2-Propanol, 1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-3-[(1-methylethyl)amino]-
SMIL CC(C)NCC(O)COc1ccc(CCOCC2CC2)cc1
IUPAC navn 1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
Molekylær formel C18 H29 N O3
5

C-Desmethyl Metoprolol, TRC

CAS: 109632-08-8 Molekylær formel: C14 H23 N O3 Molekylvægt (g/mol): 253.34 Synonym: (2RS)-1-(Ethylamino)-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol,Metoprolol Succinate Imp. A (EP),Metoprolol Tartrate Imp. A (EP) IUPAC navn: 1-(ethylamino)-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol SMIL: CCNCC(O)COc1ccc(CCOC)cc1

Molekylvægt (g/mol) 253.34
CAS 109632-08-8
Synonym (2RS)-1-(Ethylamino)-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol,Metoprolol Succinate Imp. A (EP),Metoprolol Tartrate Imp. A (EP)
SMIL CCNCC(O)COc1ccc(CCOC)cc1
IUPAC navn 1-(ethylamino)-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol
Molekylær formel C14 H23 N O3
6

3-[2-hydroxy-3-[4-(2-methoxyethyl)phenoxy]propoxy]-1-isopropylamino-2-propanol (blanding af diasteromerer)(metoprolol-urenhed j), TRC

CAS: 163685-37-8 Molekylær formel: C18 H31 N O5 Molekylvægt (g/mol): 341.44 Synonym: 1-[2-Hydroxy-3-[(1-methylethyl)amino]propoxy]-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol,Metoprolol Succinate Imp. J (EP),Metoprolol Tartrate Imp. J (EP) IUPAC navn: 1-[2-hydroxy-3-[4-(2-methoxyethyl)phenoxy]propoxy]-3-(propan-2-ylamino)propan-2-ol SMIL: COCCc1ccc(OCC(O)COCC(O)CNC(C)C)cc1

Molekylvægt (g/mol) 341.44
CAS 163685-37-8
Synonym 1-[2-Hydroxy-3-[(1-methylethyl)amino]propoxy]-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol,Metoprolol Succinate Imp. J (EP),Metoprolol Tartrate Imp. J (EP)
SMIL COCCc1ccc(OCC(O)COCC(O)CNC(C)C)cc1
IUPAC navn 1-[2-hydroxy-3-[4-(2-methoxyethyl)phenoxy]propoxy]-3-(propan-2-ylamino)propan-2-ol
Molekylær formel C18 H31 N O5
7

rac Metoprolol, TRC

CAS: 51384-51-1 Molekylær formel: C15 H25 N O3

CAS 51384-51-1
Molekylær formel C15 H25 N O3
8

O-Desmethyl Metoprolol, TRC

CAS: 62572-94-5 Molekylær formel: C14 H23 N O3 Molekylvægt (g/mol): 253.34 Synonym: (2RS)-1-[4-(2-Hydroxyethyl)phenoxy]-3-[(1-methylethyl)amino]propan-2-ol,Betaxolol Hydrochloride Imp. B (EP),Metoprolol Succinate Imp. H (EP),Metoprolol Tartrate Imp. H (EP) IUPAC navn: 1-[4-(2-hydroxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol SMIL: CC(C)NCC(O)COc1ccc(CCO)cc1

Molekylvægt (g/mol) 253.34
CAS 62572-94-5
Synonym (2RS)-1-[4-(2-Hydroxyethyl)phenoxy]-3-[(1-methylethyl)amino]propan-2-ol,Betaxolol Hydrochloride Imp. B (EP),Metoprolol Succinate Imp. H (EP),Metoprolol Tartrate Imp. H (EP)
SMIL CC(C)NCC(O)COc1ccc(CCO)cc1
IUPAC navn 1-[4-(2-hydroxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
Molekylær formel C14 H23 N O3
9

(R)-Metoprolol, TRC

CAS: 51384-51-1 Molekylær formel: C15 H25 N O3 Molekylvægt (g/mol): 267.36 Synonym: (RS)-Metoprolol,(±)-Metoprolol,1-Isopropylamino-3-[4-(2-methoxyethyl)phenoxy]-2-propanol,1-[4-(2-Methoxyethyl)phenoxy]-3-[(1-methylethyl)amino]-2-propanol,Beatrolol,CGP 2175,Meijoprolol,Metocard,Metohexal,Metoprolol,Seroken,Spesicor,Toprol,dl-Metoprolol,2-Propanol, 1-[4-(2-methoxyethyl)phenoxy]-3-[(1-methylethyl)amino]- IUPAC navn: (2R)-1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol SMIL: COCCc1ccc(OC[C@H](O)CNC(C)C)cc1

Molekylvægt (g/mol) 267.36
CAS 51384-51-1
Synonym (RS)-Metoprolol,(±)-Metoprolol,1-Isopropylamino-3-[4-(2-methoxyethyl)phenoxy]-2-propanol,1-[4-(2-Methoxyethyl)phenoxy]-3-[(1-methylethyl)amino]-2-propanol,Beatrolol,CGP 2175,Meijoprolol,Metocard,Metohexal,Metoprolol,Seroken,Spesicor,Toprol,dl-Metoprolol,2-Propanol, 1-[4-(2-methoxyethyl)phenoxy]-3-[(1-methylethyl)amino]-
SMIL COCCc1ccc(OC[C@H](O)CNC(C)C)cc1
IUPAC navn (2R)-1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
Molekylær formel C15 H25 N O3
10

2-(4-Benzyloxyphenyl)ethanol, 98+%

CAS: 61439-59-6 Molekylær formel: C15H16O2 Molekylvægt (g/mol): 228.29 MDL nummer: MFCD00017532 InChI nøgle: JCUJAHLWCDISCC-UHFFFAOYSA-N Synonym: 2-4-benzyloxyphenyl ethanol,2-4-benzyloxy phenyl ethanol,p-benzyloxy phenethyl alcohol,4-benzyloxyphenylethyl alcohol,4-benzyloxyphenethyl alcohol,4-benzyloxy phenethylalcohol,benzeneethanol, 4-phenylmethoxy,2-p-benzyloxyphenyl ethanol,4-benzyloxy phenethyl alcohol PubChem CID: 3017260 IUPAC navn: 2-(4-phenylmethoxyphenyl)ethanol SMIL: OCCC1=CC=C(OCC2=CC=CC=C2)C=C1

MDL nummer MFCD00017532
PubChem CID 3017260
Molekylvægt (g/mol) 228.29
CAS 61439-59-6
Synonym 2-4-benzyloxyphenyl ethanol,2-4-benzyloxy phenyl ethanol,p-benzyloxy phenethyl alcohol,4-benzyloxyphenylethyl alcohol,4-benzyloxyphenethyl alcohol,4-benzyloxy phenethylalcohol,benzeneethanol, 4-phenylmethoxy,2-p-benzyloxyphenyl ethanol,4-benzyloxy phenethyl alcohol
SMIL OCCC1=CC=C(OCC2=CC=CC=C2)C=C1
IUPAC navn 2-(4-phenylmethoxyphenyl)ethanol
InChI nøgle JCUJAHLWCDISCC-UHFFFAOYSA-N
Molekylær formel C15H16O2
11

2-(4-ethoxyphenyl)ethanol, 98%

CAS: 22545-15-9 Molekylær formel: C10H14O2 Molekylvægt (g/mol): 166.22 MDL nummer: MFCD00016570 InChI nøgle: CNMVSNTVPZWQMI-UHFFFAOYSA-N Synonym: 2-4-ethoxyphenyl ethanol,p-ethoxyphenethyl alcohol,4-2-hydroxyethyl phenetol,4-ethoxybenzeneethanol,4-ethoxy-benzeneethanol,4-ethoxyphenethyl alcohol,benzeneethanol,4-ethoxy,acmc-1cit4,benzeneethanol, 4-ethoxy,2-4-ethoxyphenyl ethan-1-ol PubChem CID: 89752 IUPAC navn: 2-(4-ethoxyphenyl)ethanol SMIL: CCOC1=CC=C(CCO)C=C1

MDL nummer MFCD00016570
PubChem CID 89752
Molekylvægt (g/mol) 166.22
CAS 22545-15-9
Synonym 2-4-ethoxyphenyl ethanol,p-ethoxyphenethyl alcohol,4-2-hydroxyethyl phenetol,4-ethoxybenzeneethanol,4-ethoxy-benzeneethanol,4-ethoxyphenethyl alcohol,benzeneethanol,4-ethoxy,acmc-1cit4,benzeneethanol, 4-ethoxy,2-4-ethoxyphenyl ethan-1-ol
SMIL CCOC1=CC=C(CCO)C=C1
IUPAC navn 2-(4-ethoxyphenyl)ethanol
InChI nøgle CNMVSNTVPZWQMI-UHFFFAOYSA-N
Molekylær formel C10H14O2
12

Betaxolol hydrochlorid, TRC

CAS: 63659-19-8 Molekylær formel: C18 H29 N O3 . Cl H Molekylvægt (g/mol): 343.89 Synonym: Betaxolol Hydrochloride,(2RS)-1-[4-[2-(Cyclopropylmethoxy)ethyl]phenoxy]-3-[(1-methylethyl)amino]propan-2-ol hydrochloride,2-Propanol, 1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-3-[(1-methylethyl)amino]-, hydrochloride (1:1),2-Propanol, 1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-3-[(1-methylethyl)amino]-, hydrochloride (9CI),Betapress,Betoptic,Betoptima,Kerlone,Optipress,SL 75212,SLD 212 IUPAC navn: 1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol; hydrochlorid SMIL: Cl.CC(C)NCC(O)COc1ccc(CCOCC2CC2)cc1

Molekylvægt (g/mol) 343.89
CAS 63659-19-8
Synonym Betaxolol Hydrochloride,(2RS)-1-[4-[2-(Cyclopropylmethoxy)ethyl]phenoxy]-3-[(1-methylethyl)amino]propan-2-ol hydrochloride,2-Propanol, 1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-3-[(1-methylethyl)amino]-, hydrochloride (1:1),2-Propanol, 1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-3-[(1-methylethyl)amino]-, hydrochloride (9CI),Betapress,Betoptic,Betoptima,Kerlone,Optipress,SL 75212,SLD 212
SMIL Cl.CC(C)NCC(O)COc1ccc(CCOCC2CC2)cc1
IUPAC navn 1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol; hydrochlorid
Molekylær formel C18 H29 N O3 . Cl H
13

2-(3,4-Dimethoxyphenyl)ethanol, 98%

CAS: 7417-21-2 Molekylær formel: C10H14O3 Molekylvægt (g/mol): 182.22 MDL nummer: MFCD00002894 InChI nøgle: SRQAJMUHZROVHW-UHFFFAOYSA-N Synonym: 3,4-dimethoxyphenethyl alcohol,2-3,4-dimethoxyphenyl ethanol,3,4-dimethoxyphenethylalcohol,2-3,4-dimethoxyphenyl ethan-1-ol,3,4-dimethoxyphenethanol,homoveratryl alcohol,benzeneethanol, 3,4-dimethoxy,3,4-dimethoxybenzeneethanol,3,4-dimethoxy-.beta.-phenethyl alcohol,1-2-hydroxyethyl-3,4-dimethoxybenzene PubChem CID: 81911 SMIL: COC1=CC=C(CCO)C=C1OC

MDL nummer MFCD00002894
PubChem CID 81911
Molekylvægt (g/mol) 182.22
CAS 7417-21-2
Synonym 3,4-dimethoxyphenethyl alcohol,2-3,4-dimethoxyphenyl ethanol,3,4-dimethoxyphenethylalcohol,2-3,4-dimethoxyphenyl ethan-1-ol,3,4-dimethoxyphenethanol,homoveratryl alcohol,benzeneethanol, 3,4-dimethoxy,3,4-dimethoxybenzeneethanol,3,4-dimethoxy-.beta.-phenethyl alcohol,1-2-hydroxyethyl-3,4-dimethoxybenzene
SMIL COC1=CC=C(CCO)C=C1OC
InChI nøgle SRQAJMUHZROVHW-UHFFFAOYSA-N
Molekylær formel C10H14O3
14

2-(4-methoxyphenyl)ethanol, 98%

CAS: 702-23-8 Molekylær formel: C9H12O2 Molekylvægt (g/mol): 152.193 MDL nummer: MFCD00002900 InChI nøgle: AUWDOZOUJWEPBA-UHFFFAOYSA-N Synonym: 2-4-methoxyphenyl ethanol,4-methoxyphenethyl alcohol,4-methoxybenzeneethanol,benzeneethanol, 4-methoxy,p-methoxyphenethyl alcohol,2-4-methoxyphenyl ethan-1-ol,unii-3mwl5nze9k,3mwl5nze9k,4-2-hydroxyethyl anisole,2-4-methoxyphenyl-ethanol PubChem CID: 69705 IUPAC navn: 2-(4-methoxyphenyl)ethanol SMIL: COC1=CC=C(C=C1)CCO

MDL nummer MFCD00002900
PubChem CID 69705
Molekylvægt (g/mol) 152.193
CAS 702-23-8
Synonym 2-4-methoxyphenyl ethanol,4-methoxyphenethyl alcohol,4-methoxybenzeneethanol,benzeneethanol, 4-methoxy,p-methoxyphenethyl alcohol,2-4-methoxyphenyl ethan-1-ol,unii-3mwl5nze9k,3mwl5nze9k,4-2-hydroxyethyl anisole,2-4-methoxyphenyl-ethanol
SMIL COC1=CC=C(C=C1)CCO
IUPAC navn 2-(4-methoxyphenyl)ethanol
InChI nøgle AUWDOZOUJWEPBA-UHFFFAOYSA-N
Molekylær formel C9H12O2
15

4-(2-Methoxyethyl)phenol, 98%

CAS: 56718-71-9 Molekylær formel: C9H12O2 Molekylvægt (g/mol): 152.193 MDL nummer: MFCD00017537 InChI nøgle: FAYGEALAEQKPDI-UHFFFAOYSA-N Synonym: 4-2-methoxyethyl phenol,p-2-methoxyethyl phenol,phenol, 4-2-methoxyethyl,4-methoxyethylphenol,unii-py1w0akw8i,metoprolol impurity b,metoprolol impurity i,py1w0akw8i,4-hydroxyphenylethyl methyl ether PubChem CID: 92516 IUPAC navn: 4-(2-methoxyethyl)phenol SMIL: COCCC1=CC=C(C=C1)O

MDL nummer MFCD00017537
PubChem CID 92516
Molekylvægt (g/mol) 152.193
CAS 56718-71-9
Synonym 4-2-methoxyethyl phenol,p-2-methoxyethyl phenol,phenol, 4-2-methoxyethyl,4-methoxyethylphenol,unii-py1w0akw8i,metoprolol impurity b,metoprolol impurity i,py1w0akw8i,4-hydroxyphenylethyl methyl ether
SMIL COCCC1=CC=C(C=C1)O
IUPAC navn 4-(2-methoxyethyl)phenol
InChI nøgle FAYGEALAEQKPDI-UHFFFAOYSA-N
Molekylær formel C9H12O2