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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H26N4
Molecular Weight 346.4686
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CHIMONANTHINE

SMILES

CN1CC[C@@]2([C@H]1NC3=C2C=CC=C3)[C@@]45CCN(C)[C@@H]4NC6=C5C=CC=C6

InChI

InChIKey=HOYXPMHLHJOGHD-FNAHDJPLSA-N
InChI=1S/C22H26N4/c1-25-13-11-21(15-7-3-5-9-17(15)23-19(21)25)22-12-14-26(2)20(22)24-18-10-6-4-8-16(18)22/h3-10,19-20,23-24H,11-14H2,1-2H3/t19-,20-,21+,22+/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H26N4
Molecular Weight 346.4686
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
Determination of the absolute configurations of flexible molecules: synthesis and theoretical simulation of electronic circular dichroism/optical rotation of some pyrrolo[2,3-b]indoline alkaloids--a case study.
2007-06
Substance Class Chemical
Created
by admin
on Mon Mar 31 23:34:16 GMT 2025
Edited
by admin
on Mon Mar 31 23:34:16 GMT 2025
Record UNII
97C4UE479O
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(-)-CHIMONANTHINE
Preferred Name English
CHIMONANTHINE
MI  
Common Name English
1-DEMETHYLCALYCANTHIDINE
Common Name English
L-CHIMONANTHINE
Common Name English
3A,3'A(1H,1'H)-BIPYRROLO(2,3-B)INDOLE, 2,2',3,3',8,8',8A,8'A-OCTAHYDRO-1,1'-DIMETHYL-, (3AS,3'AS,8AS,8'AS)-
Systematic Name English
CHIMONANTHIN
Common Name English
CHIMONANTHINE [MI]
Common Name English
Code System Code Type Description
CHEBI
87
Created by admin on Mon Mar 31 23:34:16 GMT 2025 , Edited by admin on Mon Mar 31 23:34:16 GMT 2025
PRIMARY
PUBCHEM
3083909
Created by admin on Mon Mar 31 23:34:16 GMT 2025 , Edited by admin on Mon Mar 31 23:34:16 GMT 2025
PRIMARY
MERCK INDEX
m3329
Created by admin on Mon Mar 31 23:34:16 GMT 2025 , Edited by admin on Mon Mar 31 23:34:16 GMT 2025
PRIMARY Merck Index
FDA UNII
97C4UE479O
Created by admin on Mon Mar 31 23:34:16 GMT 2025 , Edited by admin on Mon Mar 31 23:34:16 GMT 2025
PRIMARY
CAS
5545-89-1
Created by admin on Mon Mar 31 23:34:16 GMT 2025 , Edited by admin on Mon Mar 31 23:34:16 GMT 2025
PRIMARY
EPA CompTox
DTXSID50204016
Created by admin on Mon Mar 31 23:34:16 GMT 2025 , Edited by admin on Mon Mar 31 23:34:16 GMT 2025
PRIMARY