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Details

Stereochemistry ACHIRAL
Molecular Formula C12H10O6S2.C9H21NO6S2
Molecular Weight 617.73
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-METHYL-3,3'-DIMESYLOXYDIPROPYLAMINE (1,1'-BIPHENYL)-4,4'-DISULFONATE

SMILES

CN(CCCOS(C)(=O)=O)CCCOS(C)(=O)=O.OS(=O)(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)S(O)(=O)=O

InChI

InChIKey=VJWSKIHLIBKOBD-UHFFFAOYSA-N
InChI=1S/C12H10O6S2.C9H21NO6S2/c13-19(14,15)11-5-1-9(2-6-11)10-3-7-12(8-4-10)20(16,17)18;1-10(6-4-8-15-17(2,11)12)7-5-9-16-18(3,13)14/h1-8H,(H,13,14,15)(H,16,17,18);4-9H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C9H21NO6S2
Molecular Weight 303.396
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C12H10O6S2
Molecular Weight 314.334
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 22:17:13 GMT 2025
Edited
by admin
on Mon Mar 31 22:17:13 GMT 2025
Record UNII
Z85KL0692Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
838 D
Preferred Name English
N-METHYL-3,3'-DIMESYLOXYDIPROPYLAMINE (1,1'-BIPHENYL)-4,4'-DISULFONATE
Common Name English
N-METHYL-N,N-BIS(3-METHYLSULFONYLOXYPROPYL)AMINE 4,4'-BIPHENYLDISULFONATE
Systematic Name English
1-PROPANOL, 3,3'-(METHYLIMINO)BIS-, DIMETHANESULFONATE (ESTER), (1,1'-BIPHENYL)-4,4'-DISULFONATE (1:1) (SALT)
Systematic Name English
NSC-140115
Code English
(1,1'-BIPHENYL)-4,4'-DISULFONIC ACID, COMPD. WITH (METHYLIMINO)DI-3,1-PROPANEDIYL DIMETHANESULFONATE (1:1)
Systematic Name English
838D
Code English
N-METHYL-BIS(3-MESYLOXYPROPYL)AMINE BIPHENYL-4,4'-SULFONATE
Common Name English
Code System Code Type Description
PUBCHEM
198160
Created by admin on Mon Mar 31 22:17:13 GMT 2025 , Edited by admin on Mon Mar 31 22:17:13 GMT 2025
PRIMARY
CAS
36148-80-8
Created by admin on Mon Mar 31 22:17:13 GMT 2025 , Edited by admin on Mon Mar 31 22:17:13 GMT 2025
PRIMARY
EPA CompTox
DTXSID20189720
Created by admin on Mon Mar 31 22:17:13 GMT 2025 , Edited by admin on Mon Mar 31 22:17:13 GMT 2025
PRIMARY
FDA UNII
Z85KL0692Y
Created by admin on Mon Mar 31 22:17:13 GMT 2025 , Edited by admin on Mon Mar 31 22:17:13 GMT 2025
PRIMARY
NSC
140115
Created by admin on Mon Mar 31 22:17:13 GMT 2025 , Edited by admin on Mon Mar 31 22:17:13 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE