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

Details

Stereochemistry RACEMIC
Molecular Formula C16H23NO.C4H4O4
Molecular Weight 361.4321
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 6-(N-.ALPHA.-PIPECOLINOMETHYL)-5-HYDROXYINDAN MALEATE, (±)-

SMILES

OC(=O)\C=C/C(O)=O.CC1CCCCN1CC2=C(O)C=C3CCCC3=C2

InChI

InChIKey=GVXPAWFMZOZNLY-BTJKTKAUSA-N
InChI=1S/C16H23NO.C4H4O4/c1-12-5-2-3-8-17(12)11-15-9-13-6-4-7-14(13)10-16(15)18;5-3(6)1-2-4(7)8/h9-10,12,18H,2-8,11H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

HIDE SMILES / InChI

Molecular Formula C16H23NO
Molecular Weight 245.3599
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Molecular Formula C4H4O4
Molecular Weight 116.0722
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 23:01:35 GMT 2025
Edited
by admin
on Mon Mar 31 23:01:35 GMT 2025
Record UNII
MUU1P6804I
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-(N-.ALPHA.-PIPECOLINOMETHYL)-5-HYDROXYINDAN MALEATE, (±)-
Common Name English
5-INDANOL, 6-((2-METHYLPIPERIDINO)METHYL)-, MALEATE,(±)-
Preferred Name English
1H-INDEN-5-OL, 2,3-DIHYDRO-6-((2-METHYL-1-PIPERIDINYL)METHYL)-, (2Z)-2-BUTENEDIOATE (1:1) (SALT)
Systematic Name English
Code System Code Type Description
FDA UNII
MUU1P6804I
Created by admin on Mon Mar 31 23:01:35 GMT 2025 , Edited by admin on Mon Mar 31 23:01:35 GMT 2025
PRIMARY
CAS
52849-32-8
Created by admin on Mon Mar 31 23:01:35 GMT 2025 , Edited by admin on Mon Mar 31 23:01:35 GMT 2025
PRIMARY
CAS
53305-31-0
Created by admin on Mon Mar 31 23:01:35 GMT 2025 , Edited by admin on Mon Mar 31 23:01:35 GMT 2025
NON-SPECIFIC STOICHIOMETRY
PUBCHEM
6439739
Created by admin on Mon Mar 31 23:01:35 GMT 2025 , Edited by admin on Mon Mar 31 23:01:35 GMT 2025
PRIMARY