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Kumariner og derivater

Aromatiske organiske forbindelser, der indeholder en benzenring med to tilstødende hydrogenatomer erstattet af en lactonlignende kæde, der danner en anden seks-leddet heterocyklus, der deler to carbonatomer med benzenringen med formlen: C9H6O2.

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1

4-Methylumbelliferon, 97%

CAS: 90-33-5 Molekylær formel: C10H8O3 Molekylvægt (g/mol): 176.17 MDL nummer: MFCD00006866 InChI nøgle: HSHNITRMYYLLCV-UHFFFAOYSA-N Synonym: 4-methylumbelliferone,hymecromone,7-hydroxy-4-methylcoumarin,imecromone,7-hydroxy-4-methyl-2h-chromen-2-one,cholestil,mendiaxon,4-methyl-7-hydroxycoumarin,beta-methylumbelliferone,bilcolic PubChem CID: 5280567 ChEBI: CHEBI:17224 IUPAC navn: 7-hydroxy-4-methylchromen-2-on SMIL: CC1=CC(=O)OC2=CC(O)=CC=C12

MDL nummer MFCD00006866
PubChem CID 5280567
Molekylvægt (g/mol) 176.17
CAS 90-33-5
ChEBI CHEBI:17224
Synonym 4-methylumbelliferone,hymecromone,7-hydroxy-4-methylcoumarin,imecromone,7-hydroxy-4-methyl-2h-chromen-2-one,cholestil,mendiaxon,4-methyl-7-hydroxycoumarin,beta-methylumbelliferone,bilcolic
SMIL CC1=CC(=O)OC2=CC(O)=CC=C12
IUPAC navn 7-hydroxy-4-methylchromen-2-on
InChI nøgle HSHNITRMYYLLCV-UHFFFAOYSA-N
Molekylær formel C10H8O3
2

7-Hydroxy-4-(trifluoromethyl)coumarin, 98%

CAS: 575-03-1 Molekylær formel: C10H5F3O3 Molekylvægt (g/mol): 230.142 MDL nummer: MFCD00037578 InChI nøgle: CCKWMCUOHJAVOL-UHFFFAOYSA-N Synonym: 7-hydroxy-4-trifluoromethyl coumarin,7-hydroxy-4-trifluoromethylcoumarin,7-hydroxy-4-trifluoromethyl-2h-chromen-2-one,7-hydroxy-4-trifluoromethyl chromen-2-one,4-trifluoromethyl umbelliferone,7-hydroxy-4-trifluoromethyl-chromen-2-one,2h-1-benzopyran-2-one, 7-hydroxy-4-trifluoromethyl,7,4-hfc,maybridge1_006885,tfmu PubChem CID: 5375667 IUPAC navn: 7-hydroxy-4-(trifluormethyl)chromen-2-on SMIL: C1=CC2=C(C=C1O)OC(=O)C=C2C(F)(F)F

EDGE
MDL nummer MFCD00037578
PubChem CID 5375667
Molekylvægt (g/mol) 230.142
CAS 575-03-1
Synonym 7-hydroxy-4-trifluoromethyl coumarin,7-hydroxy-4-trifluoromethylcoumarin,7-hydroxy-4-trifluoromethyl-2h-chromen-2-one,7-hydroxy-4-trifluoromethyl chromen-2-one,4-trifluoromethyl umbelliferone,7-hydroxy-4-trifluoromethyl-chromen-2-one,2h-1-benzopyran-2-one, 7-hydroxy-4-trifluoromethyl,7,4-hfc,maybridge1_006885,tfmu
SMIL C1=CC2=C(C=C1O)OC(=O)C=C2C(F)(F)F
IUPAC navn 7-hydroxy-4-(trifluormethyl)chromen-2-on
InChI nøgle CCKWMCUOHJAVOL-UHFFFAOYSA-N
Molekylær formel C10H5F3O3
3

7-amino-4-methylcoumarin, 98%

CAS: 26093-31-2 Molekylær formel: C10H9NO2 Molekylvægt (g/mol): 175.19 MDL nummer: MFCD00006868 InChI nøgle: GLNDAGDHSLMOKX-UHFFFAOYSA-N Synonym: 7-amino-4-methylcoumarin,coumarin 120,7-amino-4-methyl-2h-chromen-2-one,2h-1-benzopyran-2-one, 7-amino-4-methyl,coumarin, 7-amino-4-methyl,4-methyl-7-aminocoumarin,7-amino-4-methyl-chromen-2-one,unii-ocy3jct44x,ccris 4961,ocy3jct44x PubChem CID: 92249 ChEBI: CHEBI:51771 IUPAC navn: 7-amino-4-methylchromen-2-on SMIL: CC1=CC(=O)OC2=CC(N)=CC=C12

MDL nummer MFCD00006868
PubChem CID 92249
Molekylvægt (g/mol) 175.19
CAS 26093-31-2
ChEBI CHEBI:51771
Synonym 7-amino-4-methylcoumarin,coumarin 120,7-amino-4-methyl-2h-chromen-2-one,2h-1-benzopyran-2-one, 7-amino-4-methyl,coumarin, 7-amino-4-methyl,4-methyl-7-aminocoumarin,7-amino-4-methyl-chromen-2-one,unii-ocy3jct44x,ccris 4961,ocy3jct44x
SMIL CC1=CC(=O)OC2=CC(N)=CC=C12
IUPAC navn 7-amino-4-methylchromen-2-on
InChI nøgle GLNDAGDHSLMOKX-UHFFFAOYSA-N
Molekylær formel C10H9NO2
4

Dicumarol

CAS: 66-76-2 Molekylær formel: C19H12O6 Molekylvægt (g/mol): 336.30 MDL nummer: MFCD00006857 InChI nøgle: DOBMPNYZJYQDGZ-UHFFFAOYSA-N Synonym: dicumarol,dicoumarol,bishydroxycoumarin,dicoumarin,melitoxin,antitrombosin,baracoumin,dicoumal,dicumarine,acadyl PubChem CID: 54676038 ChEBI: CHEBI:4513 IUPAC navn: 4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)methyl]chromen-2-on SMIL: OC1=C(CC2=C(O)C3=CC=CC=C3OC2=O)C(=O)OC2=CC=CC=C12

MDL nummer MFCD00006857
PubChem CID 54676038
Molekylvægt (g/mol) 336.30
CAS 66-76-2
ChEBI CHEBI:4513
Synonym dicumarol,dicoumarol,bishydroxycoumarin,dicoumarin,melitoxin,antitrombosin,baracoumin,dicoumal,dicumarine,acadyl
SMIL OC1=C(CC2=C(O)C3=CC=CC=C3OC2=O)C(=O)OC2=CC=CC=C12
IUPAC navn 4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)methyl]chromen-2-on
InChI nøgle DOBMPNYZJYQDGZ-UHFFFAOYSA-N
Molekylær formel C19H12O6
5

7-amino-4-methylcoumarin, 98 %, Thermo Scientific Chemicals

CAS: 26093-31-2 Molekylær formel: C10H9NO2 Molekylvægt (g/mol): 175.19 MDL nummer: MFCD00006868 InChI nøgle: GLNDAGDHSLMOKX-UHFFFAOYSA-N Synonym: 7-amino-4-methylcoumarin,coumarin 120,7-amino-4-methyl-2h-chromen-2-one,2h-1-benzopyran-2-one, 7-amino-4-methyl,coumarin, 7-amino-4-methyl,4-methyl-7-aminocoumarin,7-amino-4-methyl-chromen-2-one,unii-ocy3jct44x,ccris 4961,ocy3jct44x PubChem CID: 92249 ChEBI: CHEBI:51771 IUPAC navn: 7-amino-4-methylchromen-2-on SMIL: CC1=CC(=O)OC2=CC(N)=CC=C12

MDL nummer MFCD00006868
PubChem CID 92249
Molekylvægt (g/mol) 175.19
CAS 26093-31-2
ChEBI CHEBI:51771
Synonym 7-amino-4-methylcoumarin,coumarin 120,7-amino-4-methyl-2h-chromen-2-one,2h-1-benzopyran-2-one, 7-amino-4-methyl,coumarin, 7-amino-4-methyl,4-methyl-7-aminocoumarin,7-amino-4-methyl-chromen-2-one,unii-ocy3jct44x,ccris 4961,ocy3jct44x
SMIL CC1=CC(=O)OC2=CC(N)=CC=C12
IUPAC navn 7-amino-4-methylchromen-2-on
InChI nøgle GLNDAGDHSLMOKX-UHFFFAOYSA-N
Molekylær formel C10H9NO2
6

7-hydroxycoumarin, 98%

CAS: 93-35-6 Molekylær formel: C9H6O3 Molekylvægt (g/mol): 162.14 MDL nummer: MFCD00006878 InChI nøgle: ORHBXUUXSCNDEV-UHFFFAOYSA-N Synonym: 7-hydroxycoumarin,umbelliferone,7-hydroxy-2h-chromen-2-one,hydrangin,skimmetin,7-hydroxycoumarine,7-oxycoumarin,hydrangine,skimmetine,umbelliferon PubChem CID: 5281426 ChEBI: CHEBI:27510 IUPAC navn: 7-hydroxychromen-2-on SMIL: OC1=CC=C2C=CC(=O)OC2=C1

MDL nummer MFCD00006878
PubChem CID 5281426
Molekylvægt (g/mol) 162.14
CAS 93-35-6
ChEBI CHEBI:27510
Synonym 7-hydroxycoumarin,umbelliferone,7-hydroxy-2h-chromen-2-one,hydrangin,skimmetin,7-hydroxycoumarine,7-oxycoumarin,hydrangine,skimmetine,umbelliferon
SMIL OC1=CC=C2C=CC(=O)OC2=C1
IUPAC navn 7-hydroxychromen-2-on
InChI nøgle ORHBXUUXSCNDEV-UHFFFAOYSA-N
Molekylær formel C9H6O3
7

Taspine, TRC

CAS: 602-07-3 Molekylær formel: C20 H19 N O6 Molekylvægt (g/mol): 369.37 SMIL: COc1ccc2C(=O)Oc3c(OC)cc(CCN(C)C)c4C(=O)Oc1c2c34

Molekylvægt (g/mol) 369.37
CAS 602-07-3
SMIL COc1ccc2C(=O)Oc3c(OC)cc(CCN(C)C)c4C(=O)Oc1c2c34
Molekylær formel C20 H19 N O6
9

6-nitrocoumarin, 98+%

CAS: 2725-81-7 Molekylær formel: C9H5NO4 Molekylvægt (g/mol): 191.142 MDL nummer: MFCD00016973 InChI nøgle: RMERXEXZXIVNBF-UHFFFAOYSA-N PubChem CID: 75944 IUPAC navn: 6-nitroromen-2-on SMIL: C1=CC2=C(C=CC(=O)O2)C=C1[N+](=O)[O-]

MDL nummer MFCD00016973
PubChem CID 75944
Molekylvægt (g/mol) 191.142
CAS 2725-81-7
SMIL C1=CC2=C(C=CC(=O)O2)C=C1[N+](=O)[O-]
IUPAC navn 6-nitroromen-2-on
InChI nøgle RMERXEXZXIVNBF-UHFFFAOYSA-N
Molekylær formel C9H5NO4
10

3-aminocoumarin, 97%

CAS: 1635-31-0 Molekylær formel: C9H7NO2 Molekylvægt (g/mol): 161.16 MDL nummer: MFCD00016965 InChI nøgle: QWZHDKGQKYEBKK-UHFFFAOYSA-N Synonym: 3-aminocoumarin,3-amino-2h-chromen-2-one,3-amino-2-benzopyrone,3-amino-2h-1-benzopyran-2-one,coumarin amine,coumarin monoamine,amino-chromen-2-one,3-azanylchromen-2-one,acmc-1bous PubChem CID: 74217 IUPAC navn: 3-aminochromen-2-on SMIL: C1=CC=C2C(=C1)C=C(C(=O)O2)N

MDL nummer MFCD00016965
PubChem CID 74217
Molekylvægt (g/mol) 161.16
CAS 1635-31-0
Synonym 3-aminocoumarin,3-amino-2h-chromen-2-one,3-amino-2-benzopyrone,3-amino-2h-1-benzopyran-2-one,coumarin amine,coumarin monoamine,amino-chromen-2-one,3-azanylchromen-2-one,acmc-1bous
SMIL C1=CC=C2C(=C1)C=C(C(=O)O2)N
IUPAC navn 3-aminochromen-2-on
InChI nøgle QWZHDKGQKYEBKK-UHFFFAOYSA-N
Molekylær formel C9H7NO2
12

4-klor-3-nitrocoumarin, 98%

CAS: 38464-20-9 Molekylær formel: C9H4ClNO4 Molekylvægt (g/mol): 225.584 MDL nummer: MFCD00051670 InChI nøgle: OFLRQEKOAGDHKT-UHFFFAOYSA-N Synonym: 4-chloro-3-nitrocoumarin,4-chloro-3-nitro-2h-chromen-2-one,4-chloro-3-nitro-chromen-2-one,3-nitro-4-chlorocoumarin,pubchem8672,acmc-1ahgg,4-chloranyl-3-nitro-chromen-2-one,4-chloro-3-nitro-1-benzopyran-2-one,2h-1-benzopyran-2-one,4-chloro-3-nitro PubChem CID: 688979 IUPAC navn: 4-chlor-3-nitroromen-2-on SMIL: C1=CC=C2C(=C1)C(=C(C(=O)O2)[N+](=O)[O-])Cl

MDL nummer MFCD00051670
PubChem CID 688979
Molekylvægt (g/mol) 225.584
CAS 38464-20-9
Synonym 4-chloro-3-nitrocoumarin,4-chloro-3-nitro-2h-chromen-2-one,4-chloro-3-nitro-chromen-2-one,3-nitro-4-chlorocoumarin,pubchem8672,acmc-1ahgg,4-chloranyl-3-nitro-chromen-2-one,4-chloro-3-nitro-1-benzopyran-2-one,2h-1-benzopyran-2-one,4-chloro-3-nitro
SMIL C1=CC=C2C(=C1)C(=C(C(=O)O2)[N+](=O)[O-])Cl
IUPAC navn 4-chlor-3-nitroromen-2-on
InChI nøgle OFLRQEKOAGDHKT-UHFFFAOYSA-N
Molekylær formel C9H4ClNO4
13

5,7-Dimethoxycoumarin, 98%

CAS: 487-06-9 Molekylær formel: C11H10O4 Molekylvægt (g/mol): 206.197 MDL nummer: MFCD00006870 InChI nøgle: NXJCRELRQHZBQA-UHFFFAOYSA-N Synonym: 5,7-dimethoxycoumarin,citropten,limettin,citroptene,citraptene,limetin,5,7-dimethoxy-2h-chromen-2-one,5,7-dimethoxy-2-benzopyrone,2h-1-benzopyran-2-one, 5,7-dimethoxy,coumarin, 5,7-dimethoxy PubChem CID: 2775 IUPAC navn: 5,7-dimethoxychromen-2-on SMIL: COC1=CC(=C2C=CC(=O)OC2=C1)OC

MDL nummer MFCD00006870
PubChem CID 2775
Molekylvægt (g/mol) 206.197
CAS 487-06-9
Synonym 5,7-dimethoxycoumarin,citropten,limettin,citroptene,citraptene,limetin,5,7-dimethoxy-2h-chromen-2-one,5,7-dimethoxy-2-benzopyrone,2h-1-benzopyran-2-one, 5,7-dimethoxy,coumarin, 5,7-dimethoxy
SMIL COC1=CC(=C2C=CC(=O)OC2=C1)OC
IUPAC navn 5,7-dimethoxychromen-2-on
InChI nøgle NXJCRELRQHZBQA-UHFFFAOYSA-N
Molekylær formel C11H10O4
14

4-Methylumbelliferyl 2-acetamido-2-deoxy-beta-D-glucopyranosid, TRC

CAS: 37067-30-4 Molekylær formel: C18 H21 N O8 Molekylvægt (g/mol): 379.36 Synonym: 2H-1-Benzopyran-2-one, 7-[[2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]oxy]-4-methyl-,Coumarin, 7-[(2-acetamido-2-deoxy-β-D-glucopyranosyl)oxy]-4-methyl- (7CI,8CI),7-[[2-(Acetylamino)-2-deoxy-β-D-glucopyranosyl]oxy]-4-methyl-2H-1-benzopyran-2-one,4-Methylumbelliferyl 2-acetamido-2-deoxy-β-D-glucopyranoside,4-Methylumbelliferyl-N-acetyl-β-glucosaminide,4-Methylumbelliferyl-N-acetylglucosaminide,4-Methylumbelliferyl-β-D-N-acetylglucosaminide,4-Methylumbelliferyl-β-N-acetylglucosaminide,Methylumbelliferyl 2-acetamido-2-deoxy-β-D-glucopyranoside IUPAC navn: N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-methyl-2-oxochromen-7-yl)oxyoxan-3-yl]acetamid SMIL: CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc2ccc3C(=CC(=O)Oc3c2)C

Molekylvægt (g/mol) 379.36
CAS 37067-30-4
Synonym 2H-1-Benzopyran-2-one, 7-[[2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]oxy]-4-methyl-,Coumarin, 7-[(2-acetamido-2-deoxy-β-D-glucopyranosyl)oxy]-4-methyl- (7CI,8CI),7-[[2-(Acetylamino)-2-deoxy-β-D-glucopyranosyl]oxy]-4-methyl-2H-1-benzopyran-2-one,4-Methylumbelliferyl 2-acetamido-2-deoxy-β-D-glucopyranoside,4-Methylumbelliferyl-N-acetyl-β-glucosaminide,4-Methylumbelliferyl-N-acetylglucosaminide,4-Methylumbelliferyl-β-D-N-acetylglucosaminide,4-Methylumbelliferyl-β-N-acetylglucosaminide,Methylumbelliferyl 2-acetamido-2-deoxy-β-D-glucopyranoside
SMIL CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc2ccc3C(=CC(=O)Oc3c2)C
IUPAC navn N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-methyl-2-oxochromen-7-yl)oxyoxan-3-yl]acetamid
Molekylær formel C18 H21 N O8
15

3-Acetylcoumarin, 98+%

CAS: 3949-36-8 Molekylær formel: C11H8O3 Molekylvægt (g/mol): 188.182 MDL nummer: MFCD00006853 InChI nøgle: CSPIFKKOBWYOEX-UHFFFAOYSA-N Synonym: 3-acetylcoumarin,3-acetyl-2h-chromen-2-one,coumarin, 3-acetyl,2h-1-benzopyran-2-one, 3-acetyl,3-acetyl-2-oxochromene,3-acetylcoumarine,pubchem8664,maybridge1_000885,prestwick0_000891,prestwick1_000891 PubChem CID: 77553 IUPAC navn: 3-acetylchromen-2-on SMIL: CC(=O)C1=CC2=CC=CC=C2OC1=O

MDL nummer MFCD00006853
PubChem CID 77553
Molekylvægt (g/mol) 188.182
CAS 3949-36-8
Synonym 3-acetylcoumarin,3-acetyl-2h-chromen-2-one,coumarin, 3-acetyl,2h-1-benzopyran-2-one, 3-acetyl,3-acetyl-2-oxochromene,3-acetylcoumarine,pubchem8664,maybridge1_000885,prestwick0_000891,prestwick1_000891
SMIL CC(=O)C1=CC2=CC=CC=C2OC1=O
IUPAC navn 3-acetylchromen-2-on
InChI nøgle CSPIFKKOBWYOEX-UHFFFAOYSA-N
Molekylær formel C11H8O3