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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H31NO.BrH
Molecular Weight 430.421
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIPIPANONE HYDROBROMIDE, (S)-

SMILES

Br.CCC(=O)C(C[C@H](C)N1CCCCC1)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChIKey=ZDTDCSWAJWRWNT-BDQAORGHSA-N
InChI=1S/C24H31NO.BrH/c1-3-23(26)24(21-13-7-4-8-14-21,22-15-9-5-10-16-22)19-20(2)25-17-11-6-12-18-25;/h4-5,7-10,13-16,20H,3,6,11-12,17-19H2,1-2H3;1H/t20-;/m0./s1

HIDE SMILES / InChI

Molecular Formula C24H31NO
Molecular Weight 349.509
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula BrH
Molecular Weight 80.912
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 10:14:45 UTC 2023
Edited
by admin
on Sat Dec 16 10:14:45 UTC 2023
Record UNII
62004O6V78
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DIPIPANONE HYDROBROMIDE, (S)-
Common Name English
3-HEPTANONE, 4,4-DIPHENYL-6-(1-PIPERIDINYL)-, HYDROBROMIDE (1:1), (6S)-
Systematic Name English
Code System Code Type Description
CAS
1089719-95-8
Created by admin on Sat Dec 16 10:14:45 UTC 2023 , Edited by admin on Sat Dec 16 10:14:45 UTC 2023
PRIMARY
FDA UNII
62004O6V78
Created by admin on Sat Dec 16 10:14:45 UTC 2023 , Edited by admin on Sat Dec 16 10:14:45 UTC 2023
PRIMARY
PUBCHEM
76971506
Created by admin on Sat Dec 16 10:14:45 UTC 2023 , Edited by admin on Sat Dec 16 10:14:45 UTC 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER