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Details

Stereochemistry ACHIRAL
Molecular Formula C9H13N3O.C6H13NO3S
Molecular Weight 358.456
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-PHENYLPROPOXYGUANIDINE CYCLOHEXYLSULFAMATE

SMILES

OS(=O)(=O)NC1CCCCC1.NC(=N)NOCCC2=CC=CC=C2

InChI

InChIKey=WJUOPXRUOQIWIF-UHFFFAOYSA-N
InChI=1S/C9H13N3O.C6H13NO3S/c10-9(11)12-13-7-6-8-4-2-1-3-5-8;8-11(9,10)7-6-4-2-1-3-5-6/h1-5H,6-7H2,(H4,10,11,12);6-7H,1-5H2,(H,8,9,10)

HIDE SMILES / InChI

Molecular Formula C6H13NO3S
Molecular Weight 179.237
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C9H13N3O
Molecular Weight 179.219
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 Fri Dec 15 15:03:13 GMT 2023
Edited
by admin
on Fri Dec 15 15:03:13 GMT 2023
Record UNII
RJT8J05W0V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-PHENYLPROPOXYGUANIDINE CYCLOHEXYLSULFAMATE
Systematic Name English
SULFAMIC ACID, N-CYCLOHEXYL-, COMPD. WITH N-(2-PHENYLETHOXY)GUANIDINE (1:1)
Systematic Name English
GUANIDINE, (PHENETHYLOXY)-, CYCLOHEXANESULFAMATE
Systematic Name English
Code System Code Type Description
FDA UNII
RJT8J05W0V
Created by admin on Fri Dec 15 15:03:13 GMT 2023 , Edited by admin on Fri Dec 15 15:03:13 GMT 2023
PRIMARY
PUBCHEM
76965246
Created by admin on Fri Dec 15 15:03:13 GMT 2023 , Edited by admin on Fri Dec 15 15:03:13 GMT 2023
PRIMARY
CAS
1885-67-2
Created by admin on Fri Dec 15 15:03:13 GMT 2023 , Edited by admin on Fri Dec 15 15:03:13 GMT 2023
PRIMARY
EPA CompTox
DTXSID50940346
Created by admin on Fri Dec 15 15:03:13 GMT 2023 , Edited by admin on Fri Dec 15 15:03:13 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE