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

Details

Stereochemistry ABSOLUTE
Molecular Formula C30H31F6N7O2.2ClH
Molecular Weight 708.525
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SLV-317

SMILES

Cl.Cl.FC(F)(F)C1=CC(=CC(=C1)C(=O)N2CCN(CC3=NNN=C3CN4CCOCC4)C[C@H]2CC5=CNC6=CC=CC=C56)C(F)(F)F

InChI

InChIKey=QBQHUKKLUVZUBC-MQWQBNKOSA-N
InChI=1S/C30H31F6N7O2.2ClH/c31-29(32,33)21-11-19(12-22(14-21)30(34,35)36)28(44)43-6-5-42(16-23(43)13-20-15-37-25-4-2-1-3-24(20)25)18-27-26(38-40-39-27)17-41-7-9-45-10-8-41;;/h1-4,11-12,14-15,23,37H,5-10,13,16-18H2,(H,38,39,40);2*1H/t23-;;/m1../s1

HIDE SMILES / InChI

Molecular Formula C30H31F6N7O2
Molecular Weight 635.6033
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

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

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:03:30 UTC 2023
Edited
by admin
on Sat Dec 16 11:03:30 UTC 2023
Record UNII
H5KHP6OQ62
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SLV-317
Common Name English
(3,5-BIS(TRIFLUOROMETHYL)PHENYL)-((2R)-2-(1H-INDOL-3-YLMETHYL)-4-((5-(MORPHOLINOMETHYL)-2H-TRIAZOL-4-YL)METHYL)PIPERAZIN-1-YL)METHANONE HYDROCHLORIDE
Systematic Name English
METHANONE, (3,5-BIS(TRIFLUOROMETHYL)PHENYL)((2R)-2-(1H-INDOL-3-YLMETHYL)-4-((5-(4-MORPHOLINYLMETHYL)-2H-1,2,3-TRIAZOL-4-YL)METHYL)-1-PIPERAZINYL)-, HYDROCHLORIDE (1:2)
Systematic Name English
PIPERAZINE, 1-(3,5-BIS(TRIFLUOROMETHYL)BENZOYL)-2-(1H-INDOL-3-YLMETHYL)-4-((5-(4-MORPHOLINYLMETHYL)-2H-1,2,3-TRIAZOL-4-YL)METHYL)-, DIHYDROCHLORIDE, (2R)-
Systematic Name English
SLV 317
Code English
Code System Code Type Description
FDA UNII
H5KHP6OQ62
Created by admin on Sat Dec 16 11:03:30 UTC 2023 , Edited by admin on Sat Dec 16 11:03:30 UTC 2023
PRIMARY
CAS
393183-40-9
Created by admin on Sat Dec 16 11:03:30 UTC 2023 , Edited by admin on Sat Dec 16 11:03:30 UTC 2023
PRIMARY
PUBCHEM
16109663
Created by admin on Sat Dec 16 11:03:30 UTC 2023 , Edited by admin on Sat Dec 16 11:03:30 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY