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

Details

Stereochemistry ACHIRAL
Molecular Formula C29H33N3O2.ClH
Molecular Weight 492.052
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AT-1015 ANHYDROUS

SMILES

Cl.O=CN1CCC(CC1)C(=O)NCCN2CCC(CC2)=C3C4=CC=CC=C4C=CC5=CC=CC=C35

InChI

InChIKey=YZHGXYNLMHGNJZ-UHFFFAOYSA-N
InChI=1S/C29H33N3O2.ClH/c33-21-32-18-13-25(14-19-32)29(34)30-15-20-31-16-11-24(12-17-31)28-26-7-3-1-5-22(26)9-10-23-6-2-4-8-27(23)28;/h1-10,21,25H,11-20H2,(H,30,34);1H

HIDE SMILES / InChI

Molecular Formula C29H33N3O2
Molecular Weight 455.5912
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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

Targets
Substance Class Chemical
Created
by admin
on Tue Apr 01 21:26:14 GMT 2025
Edited
by admin
on Tue Apr 01 21:26:14 GMT 2025
Record UNII
OO0X01E9MJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AT-1015 ANHYDROUS
Common Name English
4-PIPERIDINECARBOXAMIDE, N-(2-(4-(5H-DIBENZO(A,D)CYCLOHEPTEN-5-YLIDENE)-1-PIPERIDINYL)ETHYL)-1-FORMYL-, HYDROCHLORIDE (1:1)
Preferred Name English
Code System Code Type Description
PUBCHEM
9805663
Created by admin on Tue Apr 01 21:26:14 GMT 2025 , Edited by admin on Tue Apr 01 21:26:14 GMT 2025
PRIMARY
FDA UNII
OO0X01E9MJ
Created by admin on Tue Apr 01 21:26:14 GMT 2025 , Edited by admin on Tue Apr 01 21:26:14 GMT 2025
PRIMARY
CAS
190508-50-0
Created by admin on Tue Apr 01 21:26:14 GMT 2025 , Edited by admin on Tue Apr 01 21:26:14 GMT 2025
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
SOLVATE->ANHYDROUS
Related Record Type Details
ACTIVE MOIETY