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Details

Stereochemistry ACHIRAL
Molecular Formula C9H6O2
Molecular Weight 146.1427
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of COUMARIN

SMILES

O=C1OC2=C(C=CC=C2)C=C1

InChI

InChIKey=ZYGHJZDHTFUPRJ-UHFFFAOYSA-N
InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H

HIDE SMILES / InChI
Molecular Formula C9H6O2
Molecular Weight 146.1427
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
123738
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:17:40 UTC 2023
Edited
by admin
on Fri Dec 15 15:17:40 UTC 2023
Record UNII
A4VZ22K1WT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
COUMARIN
HSDB   INCI   MART.   MI   WHO-DD  
INCI  
Official Name English
COUMARIN (PROHIBITED) [FHFI]
Common Name English
COUMARIN (CONSTITUENT OF CINNAMOMUM CASSIA BARK) [DSC]
Common Name English
COUMARIN [IARC]
Common Name English
CIS-O-COUMARINIC ACID LACTONE
Common Name English
CUMARIN
Common Name English
Coumarin [WHO-DD]
Common Name English
COUMARIN [MI]
Common Name English
COUMARINIC ANHYDRIDE
Systematic Name English
COUMARINUM
HPUS  
Common Name English
NCI-C07103
Common Name English
COUMARIN (CONSTITUENT OF CINNAMOMUM VERUM BARK) [DSC]
Common Name English
COUMARIN [MART.]
Common Name English
COUMARIN [INCI]
Common Name English
COUMARINIC LACTONE
Common Name English
2-PROPENOIC ACID, 3-(2-HYDROXYPHENYL)-, .DELTA.-LACTONE
Common Name English
TONKA BEAN CAMPHOR
Common Name English
2H-1-BENZOPYRAN-2-ONE
Systematic Name English
2H-BENZO(B)PYRAN-2-ONE
Systematic Name English
NSC-8774
Code English
COUMARINUM [HPUS]
Common Name English
1,2-BENZOPYRONE
Common Name English
COUMARIN [HSDB]
Common Name English
O-HYDROXYCINNAMIC ACID LACTONE
Common Name English
Classification Tree Code System Code
CFR 21 CFR 189.130
Created by admin on Fri Dec 15 15:17:40 UTC 2023 , Edited by admin on Fri Dec 15 15:17:40 UTC 2023
NCI_THESAURUS C263
Created by admin on Fri Dec 15 15:17:40 UTC 2023 , Edited by admin on Fri Dec 15 15:17:40 UTC 2023
NCI_THESAURUS C54060
Created by admin on Fri Dec 15 15:17:40 UTC 2023 , Edited by admin on Fri Dec 15 15:17:40 UTC 2023
EPA PESTICIDE CODE 127301
Created by admin on Fri Dec 15 15:17:40 UTC 2023 , Edited by admin on Fri Dec 15 15:17:40 UTC 2023
FDA ORPHAN DRUG 84294
Created by admin on Fri Dec 15 15:17:40 UTC 2023 , Edited by admin on Fri Dec 15 15:17:40 UTC 2023
EC SCIENTIFIC COMMITTEE ON CONSUMER SAFETY OPINION SCCS/1459/11
Created by admin on Fri Dec 15 15:17:40 UTC 2023 , Edited by admin on Fri Dec 15 15:17:40 UTC 2023
Code System Code Type Description
NSC
8774
Created by admin on Fri Dec 15 15:17:40 UTC 2023 , Edited by admin on Fri Dec 15 15:17:40 UTC 2023
PRIMARY
DRUG BANK
DB04665
Created by admin on Fri Dec 15 15:17:40 UTC 2023 , Edited by admin on Fri Dec 15 15:17:40 UTC 2023
PRIMARY
CAS
91-64-5
Created by admin on Fri Dec 15 15:17:40 UTC 2023 , Edited by admin on Fri Dec 15 15:17:40 UTC 2023
PRIMARY
MESH
C030123
Created by admin on Fri Dec 15 15:17:40 UTC 2023 , Edited by admin on Fri Dec 15 15:17:40 UTC 2023
PRIMARY
PUBCHEM
323
Created by admin on Fri Dec 15 15:17:40 UTC 2023 , Edited by admin on Fri Dec 15 15:17:40 UTC 2023
PRIMARY
HSDB
1623
Created by admin on Fri Dec 15 15:17:40 UTC 2023 , Edited by admin on Fri Dec 15 15:17:40 UTC 2023
PRIMARY
DRUG CENTRAL
738
Created by admin on Fri Dec 15 15:17:40 UTC 2023 , Edited by admin on Fri Dec 15 15:17:40 UTC 2023
PRIMARY
DAILYMED
A4VZ22K1WT
Created by admin on Fri Dec 15 15:17:40 UTC 2023 , Edited by admin on Fri Dec 15 15:17:40 UTC 2023
PRIMARY
WIKIPEDIA
COUMARIN
Created by admin on Fri Dec 15 15:17:40 UTC 2023 , Edited by admin on Fri Dec 15 15:17:40 UTC 2023
PRIMARY
RXCUI
2898
Created by admin on Fri Dec 15 15:17:40 UTC 2023 , Edited by admin on Fri Dec 15 15:17:40 UTC 2023
PRIMARY RxNorm
ECHA (EC/EINECS)
202-086-7
Created by admin on Fri Dec 15 15:17:40 UTC 2023 , Edited by admin on Fri Dec 15 15:17:40 UTC 2023
PRIMARY
ChEMBL
CHEMBL6466
Created by admin on Fri Dec 15 15:17:40 UTC 2023 , Edited by admin on Fri Dec 15 15:17:40 UTC 2023
PRIMARY
MERCK INDEX
m3820
Created by admin on Fri Dec 15 15:17:40 UTC 2023 , Edited by admin on Fri Dec 15 15:17:40 UTC 2023
PRIMARY Merck Index
FDA UNII
A4VZ22K1WT
Created by admin on Fri Dec 15 15:17:40 UTC 2023 , Edited by admin on Fri Dec 15 15:17:40 UTC 2023
PRIMARY
NCI_THESAURUS
C397
Created by admin on Fri Dec 15 15:17:40 UTC 2023 , Edited by admin on Fri Dec 15 15:17:40 UTC 2023
PRIMARY
SMS_ID
100000079833
Created by admin on Fri Dec 15 15:17:40 UTC 2023 , Edited by admin on Fri Dec 15 15:17:40 UTC 2023
PRIMARY
EPA CompTox
DTXSID7020348
Created by admin on Fri Dec 15 15:17:40 UTC 2023 , Edited by admin on Fri Dec 15 15:17:40 UTC 2023
PRIMARY
CHEBI
28794
Created by admin on Fri Dec 15 15:17:40 UTC 2023 , Edited by admin on Fri Dec 15 15:17:40 UTC 2023
PRIMARY
EVMPD
SUB13479MIG
Created by admin on Fri Dec 15 15:17:40 UTC 2023 , Edited by admin on Fri Dec 15 15:17:40 UTC 2023
PRIMARY
Related Record Type Details
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DERIVATIVE -> PARENT
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PARENT -> CONSTITUENT ALWAYS PRESENT
USP
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PARENT -> CONSTITUENT MAY BE PRESENT
ASSAY (GC)
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PARENT -> CONSTITUENT MAY BE PRESENT
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METABOLIC ENZYME -> SUBSTRATE
CINNAMOMUM CASSIA TWIG
PARENT -> CONSTITUENT ALWAYS PRESENT
Related Record Type Details
Structure of 2-(2-HYDROXYPHENYL)ETHANAL
METABOLITE -> PARENT
Structure of UMBELLIFERONE
METABOLITE -> PARENT
Structure of COUMARIN 3,4 EPOXIDE
METABOLITE -> PARENT
Related Record Type Details
Structure of COUMARIN
ACTIVE MOIETY
NIH
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