4'-HYDROXYMETHYLTRIOXSALEN

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C15H14O4
Molecular Weight	258.2693
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4'-HYDROXYMETHYLTRIOXSALEN

Structure Search

SMILES

CC1=C(CO)C2=C(O1)C(C)=C3OC(=O)C=C(C)C3=C2

InChI

InChIKey=RGJSDHXSAKMPNM-UHFFFAOYSA-N

InChI=1S/C15H14O4/c1-7-4-13(17)19-14-8(2)15-11(5-10(7)14)12(6-16)9(3)18-15/h4-5,16H,6H2,1-3H3

HIDE SMILES / InChI

Molecular Formula	C15H14O4
Molecular Weight	258.2693
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 19:25:12 GMT 2025` Edited by `admin` on `Mon Mar 31 19:25:12 GMT 2025`
Record UNII	3I2U5ZBX3W
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

4'-HYDROXYMETHYLTRIOXSALEN

Common Name

English

NSC-291834

Preferred Name

English

HYDROXYMETHYLTRIOXSALEN

Common Name

English

NSC-671201

Code

English

7H-FURO(3,2-G)(1)BENZOPYRAN-7-ONE, 3-(HYDROXYMETHYL)-2,5,9-TRIMETHYL-

Systematic Name

English

4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN

Common Name

English

Code System Code Type Description

NSC

671201

Created by admin on Mon Mar 31 19:25:12 GMT 2025 , Edited by admin on Mon Mar 31 19:25:12 GMT 2025

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MESH

C016507

Created by admin on Mon Mar 31 19:25:12 GMT 2025 , Edited by admin on Mon Mar 31 19:25:12 GMT 2025

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EPA CompTox

DTXSID30211485

Created by admin on Mon Mar 31 19:25:12 GMT 2025 , Edited by admin on Mon Mar 31 19:25:12 GMT 2025

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PUBCHEM

104953

Created by admin on Mon Mar 31 19:25:12 GMT 2025 , Edited by admin on Mon Mar 31 19:25:12 GMT 2025

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CAS

62442-59-5

Created by admin on Mon Mar 31 19:25:12 GMT 2025 , Edited by admin on Mon Mar 31 19:25:12 GMT 2025

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NSC

291834

Created by admin on Mon Mar 31 19:25:12 GMT 2025 , Edited by admin on Mon Mar 31 19:25:12 GMT 2025

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FDA UNII

3I2U5ZBX3W

Created by admin on Mon Mar 31 19:25:12 GMT 2025 , Edited by admin on Mon Mar 31 19:25:12 GMT 2025

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