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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H41N5O4.ClH
Molecular Weight 536.106
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of IMARIKIREN HYDROCHLORIDE

SMILES

Cl.COCCCCN1C2=CC=CC=C2N=C1C(=O)N(CC(C)C)[C@@H]3CNC[C@@H](C3)C(=O)N4CCOCC4

InChI

InChIKey=PUXOYQIZZIWCHH-NSLUPJTDSA-N
InChI=1S/C27H41N5O4.ClH/c1-20(2)19-32(22-16-21(17-28-18-22)26(33)30-11-14-36-15-12-30)27(34)25-29-23-8-4-5-9-24(23)31(25)10-6-7-13-35-3;/h4-5,8-9,20-22,28H,6-7,10-19H2,1-3H3;1H/t21-,22+;/m1./s1

HIDE SMILES / InChI

Molecular Formula C27H41N5O4
Molecular Weight 499.6455
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
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 08:43:44 GMT 2023
Edited
by admin
on Sat Dec 16 08:43:44 GMT 2023
Record UNII
1NE31CW68S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
IMARIKIREN HYDROCHLORIDE
Common Name English
TAK-272, (+)-
Code English
TAK-272
Code English
1H-BENZIMIDAZOLE-2-CARBOXAMIDE, 1-(4-METHOXYBUTYL)-N-(2-METHYLPROPYL)-N-((3S,5R)-5-(4-MORPHOLINYLCARBONYL)-3-PIPERIDINYL)-, HYDROCHLORIDE (1:1)
Systematic Name English
Code System Code Type Description
PUBCHEM
56591871
Created by admin on Sat Dec 16 08:43:44 GMT 2023 , Edited by admin on Sat Dec 16 08:43:44 GMT 2023
PRIMARY
FDA UNII
1NE31CW68S
Created by admin on Sat Dec 16 08:43:44 GMT 2023 , Edited by admin on Sat Dec 16 08:43:44 GMT 2023
PRIMARY
CAS
1202269-24-6
Created by admin on Sat Dec 16 08:43:44 GMT 2023 , Edited by admin on Sat Dec 16 08:43:44 GMT 2023
PRIMARY
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