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Details

Stereochemistry ABSOLUTE
Molecular Formula C33H36N2O12.2ClH
Molecular Weight 725.567
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CROMOGLICATE LISETIL HYDROCHLORIDE

SMILES

Cl.Cl.CCOC(=O)C1=CC(=O)C2=C(OCC(COC3=C4C(=O)C=C(OC4=CC=C3)C(=O)OCC)OC(=O)[C@@H](N)CCCCN)C=CC=C2O1

InChI

InChIKey=VZZTWOVKCVPTSM-FJSYBICCSA-N
InChI=1S/C33H36N2O12.2ClH/c1-3-41-32(39)27-15-21(36)29-23(10-7-12-25(29)46-27)43-17-19(45-31(38)20(35)9-5-6-14-34)18-44-24-11-8-13-26-30(24)22(37)16-28(47-26)33(40)42-4-2;;/h7-8,10-13,15-16,19-20H,3-6,9,14,17-18,34-35H2,1-2H3;2*1H/t20-;;/m0../s1

HIDE SMILES / InChI

Molecular Formula C33H36N2O12
Molecular Weight 652.6451
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula ClH
Molecular Weight 36.461
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 05:27:09 UTC 2023
Edited
by admin
on Sat Dec 16 05:27:09 UTC 2023
Record UNII
W7074H45IM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CROMOGLICATE LISETIL HYDROCHLORIDE
JAN  
Common Name English
KY556
Code English
N-556
Code English
N556
Code English
KY-556
Code English
CROMOGLICATE LISETIL HYDROCHLORIDE [JAN]
Common Name English
L-LYSINE, 2-((2-(ETHOXYCARBONYL)-4-OXO-4H-1-BENZOPYRAN-5-YL)OXY)-1-(((2-(ETHOXYCARBONYL)-4-OXO-4H-1-BENZOPYRAN-5-YL)OXY)METHYL)ETHYL ESTER, DIHYDROCHLORIDE
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID70149394
Created by admin on Sat Dec 16 05:27:09 UTC 2023 , Edited by admin on Sat Dec 16 05:27:09 UTC 2023
PRIMARY
FDA UNII
W7074H45IM
Created by admin on Sat Dec 16 05:27:09 UTC 2023 , Edited by admin on Sat Dec 16 05:27:09 UTC 2023
PRIMARY
CAS
110816-78-9
Created by admin on Sat Dec 16 05:27:09 UTC 2023 , Edited by admin on Sat Dec 16 05:27:09 UTC 2023
PRIMARY
PUBCHEM
196638
Created by admin on Sat Dec 16 05:27:09 UTC 2023 , Edited by admin on Sat Dec 16 05:27:09 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE