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Details

Stereochemistry ACHIRAL
Molecular Formula C14H21NO7S2
Molecular Weight 379.449
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DMS-612

SMILES

CC1=C(C=O)C=CC(=C1)N(CCOS(C)(=O)=O)CCOS(C)(=O)=O

InChI

InChIKey=CQVKMVQRSNNAGO-UHFFFAOYSA-N
InChI=1S/C14H21NO7S2/c1-12-10-14(5-4-13(12)11-16)15(6-8-21-23(2,17)18)7-9-22-24(3,19)20/h4-5,10-11H,6-9H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C14H21NO7S2
Molecular Weight 379.449
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Degradation of NSC-281612 (4-[bis[2-[(methylsulfonyl)oxy]ethyl]amino]-2-methyl-benzaldehyde), an experimental antineoplastic agent: effects of pH, solvent composition, (SBE)7m-beta-CD, and HP-beta-CD on stability.
2004 Mar
Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 16:54:58 GMT 2023
Edited
by admin
on Fri Dec 15 16:54:58 GMT 2023
Record UNII
96B0BRI1JU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DMS-612
Common Name English
BENZALDEHYDE, 4-(BIS(2-((METHYLSULFONYL)OXY)ETHYL)AMINO)-2-METHYL-
Systematic Name English
NSC-281612
Code English
Code System Code Type Description
EPA CompTox
DTXSID60205539
Created by admin on Fri Dec 15 16:54:58 GMT 2023 , Edited by admin on Fri Dec 15 16:54:58 GMT 2023
PRIMARY
CAS
56967-08-9
Created by admin on Fri Dec 15 16:54:58 GMT 2023 , Edited by admin on Fri Dec 15 16:54:58 GMT 2023
PRIMARY
NCI_THESAURUS
C107164
Created by admin on Fri Dec 15 16:54:58 GMT 2023 , Edited by admin on Fri Dec 15 16:54:58 GMT 2023
PRIMARY
FDA UNII
96B0BRI1JU
Created by admin on Fri Dec 15 16:54:58 GMT 2023 , Edited by admin on Fri Dec 15 16:54:58 GMT 2023
PRIMARY
PUBCHEM
322931
Created by admin on Fri Dec 15 16:54:58 GMT 2023 , Edited by admin on Fri Dec 15 16:54:58 GMT 2023
PRIMARY
NSC
281612
Created by admin on Fri Dec 15 16:54:58 GMT 2023 , Edited by admin on Fri Dec 15 16:54:58 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY