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

Details

Stereochemistry ABSOLUTE
Molecular Formula C23H34N4O5
Molecular Weight 446.5399
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of INAKALANT

SMILES

CC(C)(C)OC(=O)NCCN1C[C@H]2CN(C[C@H](O)COC3=CC=C(C=C3)C#N)C[C@@H](C1)O2

InChI

InChIKey=JRHUUZPSMQIWBQ-SESVDKBCSA-N
InChI=1S/C23H34N4O5/c1-23(2,3)32-22(29)25-8-9-26-12-20-14-27(15-21(13-26)31-20)11-18(28)16-30-19-6-4-17(10-24)5-7-19/h4-7,18,20-21,28H,8-9,11-16H2,1-3H3,(H,25,29)/t18-,20-,21+/m0/s1

HIDE SMILES / InChI

Molecular Formula C23H34N4O5
Molecular Weight 446.5399
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Dec 16 17:07:52 GMT 2023
Edited
by admin
on Sat Dec 16 17:07:52 GMT 2023
Record UNII
9GH9N9279T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
INAKALANT
INN  
INN  
Official Name English
TERT-BUTYL (2-(7-((2S)-3-(4-CYANOPHENOXY)-2-HYDROXYPROPYL)-9-OXA-3,7-DIAZABICYCLO(3.3.1)NON-3-YL)ETHYL)CARBAMATE
Systematic Name English
inakalant [INN]
Common Name English
AZD-7009
Code English
Code System Code Type Description
INN
8722
Created by admin on Sat Dec 16 17:07:52 GMT 2023 , Edited by admin on Sat Dec 16 17:07:52 GMT 2023
PRIMARY
FDA UNII
9GH9N9279T
Created by admin on Sat Dec 16 17:07:52 GMT 2023 , Edited by admin on Sat Dec 16 17:07:52 GMT 2023
PRIMARY
ChEMBL
CHEMBL3545040
Created by admin on Sat Dec 16 17:07:52 GMT 2023 , Edited by admin on Sat Dec 16 17:07:52 GMT 2023
PRIMARY
NCI_THESAURUS
C175086
Created by admin on Sat Dec 16 17:07:52 GMT 2023 , Edited by admin on Sat Dec 16 17:07:52 GMT 2023
PRIMARY
CAS
335619-18-6
Created by admin on Sat Dec 16 17:07:52 GMT 2023 , Edited by admin on Sat Dec 16 17:07:52 GMT 2023
PRIMARY
PUBCHEM
11648005
Created by admin on Sat Dec 16 17:07:52 GMT 2023 , Edited by admin on Sat Dec 16 17:07:52 GMT 2023
PRIMARY
SMS_ID
300000034242
Created by admin on Sat Dec 16 17:07:52 GMT 2023 , Edited by admin on Sat Dec 16 17:07:52 GMT 2023
PRIMARY
EPA CompTox
DTXSID50955192
Created by admin on Sat Dec 16 17:07:52 GMT 2023 , Edited by admin on Sat Dec 16 17:07:52 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY