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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H27ClN2
Molecular Weight 362.965
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ZICRONAPINE-D8

SMILES

[2H]C1=C([2H])C([2H])=C([C@@H]2C[C@@H](N3CCN(C([2H])([2H])[2H])C(C)(C)C3)C4=C2C=CC(Cl)=C4)C([2H])=C1[2H]

InChI

InChIKey=BYPMJBXPNZMNQD-WHCYFCLHSA-N
InChI=1S/C22H27ClN2/c1-22(2)15-25(12-11-24(22)3)21-14-19(16-7-5-4-6-8-16)18-10-9-17(23)13-20(18)21/h4-10,13,19,21H,11-12,14-15H2,1-3H3/t19-,21+/m0/s1/i3D3,4D,5D,6D,7D,8D

HIDE SMILES / InChI

Molecular Formula C22H27ClN2
Molecular Weight 362.965
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:17:21 UTC 2023
Edited
by admin
on Sat Dec 16 10:17:21 UTC 2023
Record UNII
2K038J69PK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ZICRONAPINE-D8
Common Name English
PIPERAZINE, 4-((1R,3S)-6-CHLORO-2,3-DIHYDRO-3-(PHENYL-2,3,4,5,6-D5)-1H-INDEN-1-YL)-2,2-DIMETHYL-1-(METHYL-D3)-
Systematic Name English
Code System Code Type Description
CAS
1416227-06-9
Created by admin on Sat Dec 16 10:17:21 UTC 2023 , Edited by admin on Sat Dec 16 10:17:21 UTC 2023
PRIMARY
PUBCHEM
71498955
Created by admin on Sat Dec 16 10:17:21 UTC 2023 , Edited by admin on Sat Dec 16 10:17:21 UTC 2023
PRIMARY
FDA UNII
2K038J69PK
Created by admin on Sat Dec 16 10:17:21 UTC 2023 , Edited by admin on Sat Dec 16 10:17:21 UTC 2023
PRIMARY
Related Record Type Details
NON-LABELED -> LABELED
Related Record Type Details
ACTIVE MOIETY