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Details

Stereochemistry ABSOLUTE
Molecular Formula C31H29N5O4
Molecular Weight 535.5931
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ASPERLICIN

SMILES

CC(C)C[C@@H]1N[C@H]2N(C1=O)C3=C(C=CC=C3)[C@@]2(O)C[C@@H]4NC(=O)C5=CC=CC=C5N6C(=O)C7=C(C=CC=C7)N=C46

InChI

InChIKey=MGMRIOLWEROPJY-FPACPZPDSA-N
InChI=1S/C31H29N5O4/c1-17(2)15-22-29(39)36-25-14-8-5-11-20(25)31(40,30(36)34-22)16-23-26-32-21-12-6-3-9-18(21)28(38)35(26)24-13-7-4-10-19(24)27(37)33-23/h3-14,17,22-23,30,34,40H,15-16H2,1-2H3,(H,33,37)/t22-,23-,30-,31-/m0/s1

HIDE SMILES / InChI

Molecular Formula C31H29N5O4
Molecular Weight 535.5931
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
Antidepressant/anxiolytic and anti-nociceptive effects of novel 2-substituted 1,4-benzodiazepine-2-ones.
2010-04-15
Total synthesis of asperlicin C, circumdatin F, demethylbenzomalvin A, demethoxycircumdatin H, sclerotigenin, and other fused quinazolinones.
2010-01-21
Tin triflate-mediated total synthesis of circumdatin F, sclerotigenin, asperlicin C, and other quinazolino[3,2-a][1,4]benzodiazepines.
2009-01-28
CuI-Catalyzed tandem intramolecular amidation using gem-dibromovinyl systems.
2006-02-16
Microwave-assisted concise total syntheses of quinazolinobenzodiazepine alkaloids.
2005-12-09
Cholecystokinin antagonists: pharmacological and therapeutic potential.
2003-09
2002 Alfred Burger Award Address in Medicinal Chemistry. Natural products and design: interrelated approaches in drug discovery.
2002-12-19
Synthesis of N-terminal substituted anthranilic acid dimer derivatives for evaluation on CCK receptors.
2001-08
Synthesis and evaluation of asperlicin analogues as non-peptidal cholecystokinin-antagonists.
2001
Substance Class Chemical
Created
by admin
on Mon Mar 31 19:01:25 GMT 2025
Edited
by admin
on Mon Mar 31 19:01:25 GMT 2025
Record UNII
U0MJE9LRXV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(-)-ASPERLICIN
Preferred Name English
ASPERLICIN
MI  
Common Name English
ASPERLICIN [MI]
Common Name English
(7S)-6,7-DIHYDRO-7-(((2S,9S,9AS)-2,3,9,9A-TETRAHYDRO-9-HYDROXY-2-(2-METHYLPROPYL)-3-OXO-1H-IMIDAZO(1,2-A)INDOL-9-YL)METHYL)QUINAZOLINO(3,2-A)(1,4)BENZODIAZEPINE-5,13-DIONE
Common Name English
Code System Code Type Description
CAS
93413-04-8
Created by admin on Mon Mar 31 19:01:25 GMT 2025 , Edited by admin on Mon Mar 31 19:01:25 GMT 2025
PRIMARY
PUBCHEM
3035433
Created by admin on Mon Mar 31 19:01:25 GMT 2025 , Edited by admin on Mon Mar 31 19:01:25 GMT 2025
PRIMARY
MERCK INDEX
m2103
Created by admin on Mon Mar 31 19:01:25 GMT 2025 , Edited by admin on Mon Mar 31 19:01:25 GMT 2025
PRIMARY Merck Index
WIKIPEDIA
ASPERLICIN
Created by admin on Mon Mar 31 19:01:25 GMT 2025 , Edited by admin on Mon Mar 31 19:01:25 GMT 2025
PRIMARY
EPA CompTox
DTXSID20918456
Created by admin on Mon Mar 31 19:01:25 GMT 2025 , Edited by admin on Mon Mar 31 19:01:25 GMT 2025
PRIMARY
FDA UNII
U0MJE9LRXV
Created by admin on Mon Mar 31 19:01:25 GMT 2025 , Edited by admin on Mon Mar 31 19:01:25 GMT 2025
PRIMARY