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Details

Stereochemistry ACHIRAL
Molecular Formula C15H22N4.C2H6O3S
Molecular Weight 368.494
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,4-DIAMINO-5-ADAMANTYL-6-METHYLPYRIMIDINE ETHANE SULFONATE

SMILES

CCS(O)(=O)=O.CC1=C(C(N)=NC(N)=N1)C23CC4CC(CC(C4)C2)C3

InChI

InChIKey=SSCSUZHOFNPPSA-UHFFFAOYSA-N
InChI=1S/C15H22N4.C2H6O3S/c1-8-12(13(16)19-14(17)18-8)15-5-9-2-10(6-15)4-11(3-9)7-15;1-2-6(3,4)5/h9-11H,2-7H2,1H3,(H4,16,17,18,19);2H2,1H3,(H,3,4,5)

HIDE SMILES / InChI

Molecular Formula C15H22N4
Molecular Weight 258.362
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C2H6O3S
Molecular Weight 110.132
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 15:31:01 GMT 2023
Edited
by admin
on Fri Dec 15 15:31:01 GMT 2023
Record UNII
17DE1K3WQ9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,4-DIAMINO-5-ADAMANTYL-6-METHYLPYRIMIDINE ETHANE SULFONATE
Systematic Name English
ETHANESULFONIC ACID, COMPD. WITH 6-METHYL-5-TRICYCLO(3.3.1.13,7)DEC-1-YL-2,4-PYRIMIDINEDIAMINE (1:1)
Systematic Name English
2,4-DIAMINO-5-ADAMANTYL-6-METHYLPYRIMIDINE ETHANE SULPHONATE
Systematic Name English
2,4-DIAMINO-5-(1-ADAMANTYL)-6-METHYLPYRIMIDINE ETHANESULFONATE
Systematic Name English
Code System Code Type Description
FDA UNII
17DE1K3WQ9
Created by admin on Fri Dec 15 15:31:01 GMT 2023 , Edited by admin on Fri Dec 15 15:31:01 GMT 2023
PRIMARY
PUBCHEM
64306
Created by admin on Fri Dec 15 15:31:01 GMT 2023 , Edited by admin on Fri Dec 15 15:31:01 GMT 2023
PRIMARY
CAS
78825-25-9
Created by admin on Fri Dec 15 15:31:01 GMT 2023 , Edited by admin on Fri Dec 15 15:31:01 GMT 2023
NON-SPECIFIC STOICHIOMETRY
EPA CompTox
DTXSID70189013
Created by admin on Fri Dec 15 15:31:01 GMT 2023 , Edited by admin on Fri Dec 15 15:31:01 GMT 2023
PRIMARY
CAS
35507-78-9
Created by admin on Fri Dec 15 15:31:01 GMT 2023 , Edited by admin on Fri Dec 15 15:31:01 GMT 2023
PRIMARY
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