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Details

Stereochemistry ACHIRAL
Molecular Formula C16H17N3S.ClH
Molecular Weight 318.853
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DASB HYDROCHLORIDE C-11

SMILES

Cl.CN([11CH3])CC1=CC=CC=C1SC2=C(N)C=C(C=C2)C#N

InChI

InChIKey=NGUQWWFTYNJBAF-ULWFUOSBSA-N
InChI=1S/C16H17N3S.ClH/c1-19(2)11-13-5-3-4-6-15(13)20-16-8-7-12(10-17)9-14(16)18;/h3-9H,11,18H2,1-2H3;1H/i1-1;

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C16H17N3S
Molecular Weight 282.392
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 Sat Dec 16 10:31:51 UTC 2023
Edited
by admin
on Sat Dec 16 10:31:51 UTC 2023
Record UNII
5EW2G6592J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DASB HYDROCHLORIDE C-11
Common Name English
C11 DASB HYDROCHLORIDE
Common Name English
BENZONITRILE, 3-AMINO-4-((2-((METHYLMETHYL-11C-AMINO)METHYL)PHENYL)THIO)-, HYDROCHLORIDE (1:1)
Systematic Name English
BENZONITRILE, 3-AMINO-4-((2-((METHYLMETHYL-11C-AMINO)METHYL)PHENYL)THIO)-, MONOHYDROCHLORIDE
Systematic Name English
Code System Code Type Description
PUBCHEM
72941799
Created by admin on Sat Dec 16 10:31:51 UTC 2023 , Edited by admin on Sat Dec 16 10:31:51 UTC 2023
PRIMARY
FDA UNII
5EW2G6592J
Created by admin on Sat Dec 16 10:31:51 UTC 2023 , Edited by admin on Sat Dec 16 10:31:51 UTC 2023
PRIMARY
CAS
296774-17-9
Created by admin on Sat Dec 16 10:31:51 UTC 2023 , Edited by admin on Sat Dec 16 10:31:51 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE