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Details

Stereochemistry ACHIRAL
Molecular Formula C12H8O4
Molecular Weight 216.1895
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BERGAPTEN

SMILES

COC1=C2C=CC(=O)OC2=CC3=C1C=CO3

InChI

InChIKey=BGEBZHIAGXMEMV-UHFFFAOYSA-N
InChI=1S/C12H8O4/c1-14-12-7-2-3-11(13)16-10(7)6-9-8(12)4-5-15-9/h2-6H,1H3

HIDE SMILES / InChI
Molecular Formula C12H8O4
Molecular Weight 216.1895
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:54:01 UTC 2023
Edited
by admin
on Fri Dec 15 15:54:01 UTC 2023
Record UNII
4FVK84C92X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BERGAPTEN
MI  
Common Name English
5-METHOXYPSORALEN [IARC]
Common Name English
4-METHOXY-7H-FURO(3,2-G)(1)BENZOPYRAN-7-ONE
Systematic Name English
BERGAPTEN [MI]
Common Name English
METHOXSALEN RELATED COMPOUND A [USP-RS]
Common Name English
GERALEN
Common Name English
METHOXSALEN RELATED COMPOUND A [USP IMPURITY]
Common Name English
5-METHOXYPSORALEN [MART.]
Common Name English
5-METHOXYPSORALEN
MART.   WHO-DD  
Common Name English
BERGAPTENE
Common Name English
MAJUDIN
Common Name English
NSC-95437
Code English
BERGAPTAN
Common Name English
HERACLIN
Common Name English
5-methoxypsoralen [WHO-DD]
Common Name English
Classification Tree Code System Code
WHO-ATC D05BA03
Created by admin on Fri Dec 15 15:54:01 UTC 2023 , Edited by admin on Fri Dec 15 15:54:01 UTC 2023
WHO-VATC QD05BA03
Created by admin on Fri Dec 15 15:54:01 UTC 2023 , Edited by admin on Fri Dec 15 15:54:01 UTC 2023
Code System Code Type Description
ChEMBL
CHEMBL24171
Created by admin on Fri Dec 15 15:54:01 UTC 2023 , Edited by admin on Fri Dec 15 15:54:01 UTC 2023
PRIMARY
HSDB
3466
Created by admin on Fri Dec 15 15:54:01 UTC 2023 , Edited by admin on Fri Dec 15 15:54:01 UTC 2023
PRIMARY
FDA UNII
4FVK84C92X
Created by admin on Fri Dec 15 15:54:01 UTC 2023 , Edited by admin on Fri Dec 15 15:54:01 UTC 2023
PRIMARY
DRUG BANK
DB12216
Created by admin on Fri Dec 15 15:54:01 UTC 2023 , Edited by admin on Fri Dec 15 15:54:01 UTC 2023
PRIMARY
CHEBI
18293
Created by admin on Fri Dec 15 15:54:01 UTC 2023 , Edited by admin on Fri Dec 15 15:54:01 UTC 2023
PRIMARY
ECHA (EC/EINECS)
207-604-5
Created by admin on Fri Dec 15 15:54:01 UTC 2023 , Edited by admin on Fri Dec 15 15:54:01 UTC 2023
PRIMARY
CAS
484-20-8
Created by admin on Fri Dec 15 15:54:01 UTC 2023 , Edited by admin on Fri Dec 15 15:54:01 UTC 2023
PRIMARY
PUBCHEM
2355
Created by admin on Fri Dec 15 15:54:01 UTC 2023 , Edited by admin on Fri Dec 15 15:54:01 UTC 2023
PRIMARY
NSC
95437
Created by admin on Fri Dec 15 15:54:01 UTC 2023 , Edited by admin on Fri Dec 15 15:54:01 UTC 2023
PRIMARY
RXCUI
15842
Created by admin on Fri Dec 15 15:54:01 UTC 2023 , Edited by admin on Fri Dec 15 15:54:01 UTC 2023
PRIMARY RxNorm
MESH
C022909
Created by admin on Fri Dec 15 15:54:01 UTC 2023 , Edited by admin on Fri Dec 15 15:54:01 UTC 2023
PRIMARY
RS_ITEM_NUM
1065345
Created by admin on Fri Dec 15 15:54:01 UTC 2023 , Edited by admin on Fri Dec 15 15:54:01 UTC 2023
PRIMARY
SMS_ID
100000078282
Created by admin on Fri Dec 15 15:54:01 UTC 2023 , Edited by admin on Fri Dec 15 15:54:01 UTC 2023
PRIMARY
DRUG CENTRAL
3021
Created by admin on Fri Dec 15 15:54:01 UTC 2023 , Edited by admin on Fri Dec 15 15:54:01 UTC 2023
PRIMARY
EPA CompTox
DTXSID1025560
Created by admin on Fri Dec 15 15:54:01 UTC 2023 , Edited by admin on Fri Dec 15 15:54:01 UTC 2023
PRIMARY
EVMPD
SUB12695MIG
Created by admin on Fri Dec 15 15:54:01 UTC 2023 , Edited by admin on Fri Dec 15 15:54:01 UTC 2023
PRIMARY
MERCK INDEX
m2430
Created by admin on Fri Dec 15 15:54:01 UTC 2023 , Edited by admin on Fri Dec 15 15:54:01 UTC 2023
PRIMARY Merck Index
WIKIPEDIA
BERGAPTEN
Created by admin on Fri Dec 15 15:54:01 UTC 2023 , Edited by admin on Fri Dec 15 15:54:01 UTC 2023
PRIMARY
Related Record Type Details
AMMI MAJUS SEED
PARENT -> CONSTITUENT ALWAYS PRESENT
ANGELICA ARCHANGELICA ROOT
PARENT -> CONSTITUENT ALWAYS PRESENT
ANISE
PARENT -> CONSTITUENT ALWAYS PRESENT
PARSLEY
PARENT -> CONSTITUENT ALWAYS PRESENT
ANGELICA KEISKEI TOP
PARENT -> CONSTITUENT ALWAYS PRESENT
CYTOCHROME P450 2A13
METABOLIC ENZYME -> SUBSTRATE
Related Record Type Details
Structure of 5-MOP 2',3'-EPOXIDE
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Structure of 7-HYDROXY-6-(2-HYDROXYETHYL)-5-METHOXY-2H-1-BENZOPYRAN-2-ONE
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Structure of 5,6-DIHYDRO-4-METHOXY-7H-FURO(3,2-G)(1)BENZOPYRAN-7-ONE
METABOLITE -> PARENT
Structure of 6-HYDROXY-4-METHOXY-5-BENZOFURANPROPANOIC ACID
METABOLITE -> PARENT
Structure of 2,3-DIHYDRO-2,3-DIHYDROXY-4-METHOXY-7H-FURO(3,2-G)(1)BENZOPYRAN-7-ONE
METABOLITE -> PARENT
Structure of 2H-1-BENZOPYRAN-2-ONE, 6-(1,2-DIHYDROXYETHYL)-7-HYDROXY-5-METHOXY-
METABOLITE -> PARENT
Structure of 7-HYDROXY-5-METHOXY-2-OXO-2H-1-BENZOPYRAN-6-ACETIC ACID
METABOLITE -> PARENT
Related Record Type Details
Structure of METHOXSALEN
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
Related Record Type Details
Structure of BERGAPTEN
ACTIVE MOIETY
NIH
NCATS
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