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Details

Stereochemistry ABSOLUTE
Molecular Formula C6H11NOS2
Molecular Weight 177.288
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of SULFORAPHANE

SMILES

C[S@@+]([O-])CCCCN=C=S

InChI

InChIKey=SUVMJBTUFCVSAD-SNVBAGLBSA-N
InChI=1S/C6H11NOS2/c1-10(8)5-3-2-4-7-6-9/h2-5H2,1H3/t10-/m1/s1

HIDE SMILES / InChI
Molecular Formula C6H11NOS2
Molecular Weight 177.288
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

2024
711
Substance Class Chemical
Created
by admin
on Wed Apr 02 17:55:36 GMT 2025
Edited
by admin
on Wed Apr 02 17:55:36 GMT 2025
Record UNII
GA49J4310U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(-)-SULFORAPHANE
Preferred Name English
SULFORAPHANE
INCI   MI   WHO-DD  
INCI  
Official Name English
SFX-01 (SULFORAPHANE STABILIZED WITH .ALPHA. CYCLODEXTRIN)
Common Name English
SFX-01
Common Name English
BUTANE, 1-ISOTHIOCYANATO-4-(METHYLSULFINYL)-, (R)-
Common Name English
BUTANE, 1-ISOTHIOCYANATO-4-((R)-METHYLSULFINYL)-
Systematic Name English
SULFORAPHANE, (R)-
Common Name English
Sulforaphane [WHO-DD]
Common Name English
SULFORAPHANE [MI]
Common Name English
(R)-SULFORAPHANE
Common Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 530616
Created by admin on Wed Apr 02 17:55:36 GMT 2025 , Edited by admin on Wed Apr 02 17:55:36 GMT 2025
NCI_THESAURUS C54630
Created by admin on Wed Apr 02 17:55:36 GMT 2025 , Edited by admin on Wed Apr 02 17:55:36 GMT 2025
FDA ORPHAN DRUG 836021
Created by admin on Wed Apr 02 17:55:36 GMT 2025 , Edited by admin on Wed Apr 02 17:55:36 GMT 2025
NCI_THESAURUS C45711
Created by admin on Wed Apr 02 17:55:36 GMT 2025 , Edited by admin on Wed Apr 02 17:55:36 GMT 2025
Code System Code Type Description
NCI_THESAURUS
C1424
Created by admin on Wed Apr 02 17:55:36 GMT 2025 , Edited by admin on Wed Apr 02 17:55:36 GMT 2025
PRIMARY NCIT
CHEBI
47807
Created by admin on Wed Apr 02 17:55:36 GMT 2025 , Edited by admin on Wed Apr 02 17:55:36 GMT 2025
PRIMARY
DRUG BANK
DB12422
Created by admin on Wed Apr 02 17:55:36 GMT 2025 , Edited by admin on Wed Apr 02 17:55:36 GMT 2025
PRIMARY
WIKIPEDIA
SULFORAPHANE
Created by admin on Wed Apr 02 17:55:36 GMT 2025 , Edited by admin on Wed Apr 02 17:55:36 GMT 2025
PRIMARY
PUBCHEM
9577379
Created by admin on Wed Apr 02 17:55:36 GMT 2025 , Edited by admin on Wed Apr 02 17:55:36 GMT 2025
PRIMARY
EPA CompTox
DTXSID40162196
Created by admin on Wed Apr 02 17:55:36 GMT 2025 , Edited by admin on Wed Apr 02 17:55:36 GMT 2025
PRIMARY
DAILYMED
GA49J4310U
Created by admin on Wed Apr 02 17:55:36 GMT 2025 , Edited by admin on Wed Apr 02 17:55:36 GMT 2025
PRIMARY
MERCK INDEX
m10362
Created by admin on Wed Apr 02 17:55:36 GMT 2025 , Edited by admin on Wed Apr 02 17:55:36 GMT 2025
PRIMARY Merck Index
SMS_ID
100000175678
Created by admin on Wed Apr 02 17:55:36 GMT 2025 , Edited by admin on Wed Apr 02 17:55:36 GMT 2025
PRIMARY
FDA UNII
GA49J4310U
Created by admin on Wed Apr 02 17:55:36 GMT 2025 , Edited by admin on Wed Apr 02 17:55:36 GMT 2025
PRIMARY
CAS
142825-10-3
Created by admin on Wed Apr 02 17:55:36 GMT 2025 , Edited by admin on Wed Apr 02 17:55:36 GMT 2025
PRIMARY
Related Record Type Details
NUCLEAR FACTOR ERYTHROID 2-RELATED FACTOR 2
TARGET -> ACTIVATOR
Reacts with reactive cysteine residues through covalent, resulting in the conformational changes of Keap1 and the release of Nrf2 from Keap1.
CYTOCHROME P450 2E1
METABOLIC ENZYME -> INHIBITOR
Inhibits both CYP2E1 and CYP1A2-mediated genotoxicity therefore is relevant to human isoforms of these enzymes and may contribute to a chemopreventative activity of brocolli and related species.
KELCH-LIKE ECH-ASSOCIATED PROTEIN 1
TARGET->INACTIVATOR
Reacts with reactive cysteine residues through covalent modification, resulting in the conformational changes of Keap1 and the release of Nrf2 from Keap1.
BROCCOLI SPROUT
PARENT -> ACTIVE CONSTITUENT ALWAYS PRESENT
CYTOCHROME P450 1A2
METABOLIC ENZYME -> INHIBITOR
Inhibits both CYP2E1 and CYP1A2-mediated genotoxicity therefore is relevant to human isoforms of these enzymes and may contribute to a chemopreventative activity of brocolli and related species.
Related Record Type Details
Structure of GLUCORAPHANIN
PARENT -> METABOLITE ACTIVE
Related Record Type Details
Structure of SULFORAPHANE
ACTIVE MOIETY
NIH
NCATS
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