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

Details

Stereochemistry ABSOLUTE
Molecular Formula C50H60Br4N6O6S2
Molecular Weight 1224.794
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CISTINEXINE

SMILES

CN(CC1=CC(Br)=CC(Br)=C1NC(=O)[C@H](CSSC[C@H](NC(=O)OCC2=CC=CC=C2)C(=O)NC3=C(Br)C=C(Br)C=C3CN(C)C4CCCCC4)NC(=O)OCC5=CC=CC=C5)C6CCCCC6

InChI

InChIKey=UVOSLKVETODLTR-CXNSMIOJSA-N
InChI=1S/C50H60Br4N6O6S2/c1-59(39-19-11-5-12-20-39)27-35-23-37(51)25-41(53)45(35)57-47(61)43(55-49(63)65-29-33-15-7-3-8-16-33)31-67-68-32-44(56-50(64)66-30-34-17-9-4-10-18-34)48(62)58-46-36(24-38(52)26-42(46)54)28-60(2)40-21-13-6-14-22-40/h3-4,7-10,15-18,23-26,39-40,43-44H,5-6,11-14,19-22,27-32H2,1-2H3,(H,55,63)(H,56,64)(H,57,61)(H,58,62)/t43-,44-/m0/s1

HIDE SMILES / InChI

Molecular Formula C50H60Br4N6O6S2
Molecular Weight 1224.794
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Cistinexine is an expectorant drug developed by Italian company Recordati S.p.A. Cistinexine as a cystine derivative that has shown an expectorant action similar to bromhexine during preclinical pharmacological trials. In clinical trials in patients with chronic bronchitis, treatment with cistinexine did not lead to a reduction of mucus transport rate (MTR). The only significant effect was observed in patients with severe impairment of MTR.

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 18:16:59 GMT 2025
Edited
by admin
on Mon Mar 31 18:16:59 GMT 2025
Record UNII
62VR67FK8E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CISTINEXINE
INN   MART.  
INN  
Official Name English
CISTINEXINE [MART.]
Preferred Name English
cistinexine [INN]
Common Name English
DIBENZYL (DITHIOBIS((R)-1-((4,6-DIBROMO-.ALPHA.-(CYCLOHEXYLMETHYLAMINO)-O-TOLYL)CARBAMOYL)ETHYLENE))DICARBAMATE
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C74536
Created by admin on Mon Mar 31 18:16:59 GMT 2025 , Edited by admin on Mon Mar 31 18:16:59 GMT 2025
NCI_THESAURUS C29767
Created by admin on Mon Mar 31 18:16:59 GMT 2025 , Edited by admin on Mon Mar 31 18:16:59 GMT 2025
Code System Code Type Description
PUBCHEM
65644
Created by admin on Mon Mar 31 18:16:59 GMT 2025 , Edited by admin on Mon Mar 31 18:16:59 GMT 2025
PRIMARY
ChEMBL
CHEMBL2106053
Created by admin on Mon Mar 31 18:16:59 GMT 2025 , Edited by admin on Mon Mar 31 18:16:59 GMT 2025
PRIMARY
CAS
86042-50-4
Created by admin on Mon Mar 31 18:16:59 GMT 2025 , Edited by admin on Mon Mar 31 18:16:59 GMT 2025
PRIMARY
INN
5822
Created by admin on Mon Mar 31 18:16:59 GMT 2025 , Edited by admin on Mon Mar 31 18:16:59 GMT 2025
PRIMARY
MESH
C048720
Created by admin on Mon Mar 31 18:16:59 GMT 2025 , Edited by admin on Mon Mar 31 18:16:59 GMT 2025
PRIMARY
EVMPD
SUB07484MIG
Created by admin on Mon Mar 31 18:16:59 GMT 2025 , Edited by admin on Mon Mar 31 18:16:59 GMT 2025
PRIMARY
FDA UNII
62VR67FK8E
Created by admin on Mon Mar 31 18:16:59 GMT 2025 , Edited by admin on Mon Mar 31 18:16:59 GMT 2025
PRIMARY
EPA CompTox
DTXSID50235360
Created by admin on Mon Mar 31 18:16:59 GMT 2025 , Edited by admin on Mon Mar 31 18:16:59 GMT 2025
PRIMARY
SMS_ID
100000081546
Created by admin on Mon Mar 31 18:16:59 GMT 2025 , Edited by admin on Mon Mar 31 18:16:59 GMT 2025
PRIMARY
NCI_THESAURUS
C77595
Created by admin on Mon Mar 31 18:16:59 GMT 2025 , Edited by admin on Mon Mar 31 18:16:59 GMT 2025
PRIMARY
Related Record Type Details
ACTIVE MOIETY