U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C16H21ClN4O3.2ClH
Molecular Weight 425.738
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SL-65.0102-10

SMILES

Cl.Cl.NC1=C(Cl)C=C(C(=O)NC[C@@H]2CN3CCN2CC3)C4=C1OCCO4

InChI

InChIKey=ZVHOZFKIPCTMNY-YQFADDPSSA-N
InChI=1S/C16H21ClN4O3.2ClH/c17-12-7-11(14-15(13(12)18)24-6-5-23-14)16(22)19-8-10-9-20-1-3-21(10)4-2-20;;/h7,10H,1-6,8-9,18H2,(H,19,22);2*1H/t10-;;/m1../s1

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 C16H21ClN4O3
Molecular Weight 352.816
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:47:05 GMT 2023
Edited
by admin
on Fri Dec 15 15:47:05 GMT 2023
Record UNII
AG74B0QC0E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SL-65.0102-10
Code English
1,4-BENZODIOXIN-5-CARBOXAMIDE, 8-AMINO-7-CHLORO-N-(1,4-DIAZABICYCLO(2.2.2)OCT-2-YLMETHYL)-2,3-DIHYDRO-, DIHYDROCHLORIDE, (-)-
Common Name English
8-AMINO-7-CHLORO-N-(1,4-DIAZABICYCLO(2.2.2)OCT-2-YLMETHYL)-2,3-DIHYDRO-1,4-BENZODIOXIN-5-CARBOXAMIDE DIHYDROCHLORIDE, L-, R-
Common Name English
1,4-BENZODIOXIN-5-CARBOXAMIDE, 8-AMINO-7-CHLORO-N-(1,4-DIAZABICYCLO(2.2.2)OCT-2-YLMETHYL)-2,3-DIHYDRO-, HYDROCHLORIDE (1:2), (-)-
Common Name English
Code System Code Type Description
CAS
186348-31-2
Created by admin on Fri Dec 15 15:47:05 GMT 2023 , Edited by admin on Fri Dec 15 15:47:05 GMT 2023
PRIMARY
PUBCHEM
9932210
Created by admin on Fri Dec 15 15:47:05 GMT 2023 , Edited by admin on Fri Dec 15 15:47:05 GMT 2023
PRIMARY
FDA UNII
AG74B0QC0E
Created by admin on Fri Dec 15 15:47:05 GMT 2023 , Edited by admin on Fri Dec 15 15:47:05 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE