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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H25N
Molecular Weight 303.4406
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PIROHEPTINE, (S)-

SMILES

CCN1CCC([C@@H]1C)=C2C3=C(CCC4=C2C=CC=C4)C=CC=C3

InChI

InChIKey=NKJQZSDCCLDOQH-INIZCTEOSA-N
InChI=1S/C22H25N/c1-3-23-15-14-19(16(23)2)22-20-10-6-4-8-17(20)12-13-18-9-5-7-11-21(18)22/h4-11,16H,3,12-15H2,1-2H3/t16-/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H25N
Molecular Weight 303.4406
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:19:08 GMT 2023
Edited
by admin
on Sat Dec 16 11:19:08 GMT 2023
Record UNII
E6QXN28RHC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PIROHEPTINE, (S)-
Common Name English
PYRROLIDINE, 3-(10,11-DIHYDRO-5H-DIBENZO(A,D)CYCLOHEPTEN-5-YLIDENE)-1-ETHYL-2-METHYL-, (S)-
Systematic Name English
Code System Code Type Description
PUBCHEM
38988585
Created by admin on Sat Dec 16 11:19:08 GMT 2023 , Edited by admin on Sat Dec 16 11:19:08 GMT 2023
PRIMARY
FDA UNII
E6QXN28RHC
Created by admin on Sat Dec 16 11:19:08 GMT 2023 , Edited by admin on Sat Dec 16 11:19:08 GMT 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> ENANTIOMER
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