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

Details

Stereochemistry ABSOLUTE
Molecular Formula C39H69NO12
Molecular Weight 743.9647
Optical Activity UNSPECIFIED
Defined Stereocenters 17 / 17
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of IDREMCINAL

SMILES

[H][C@@]2(O[C@H]1C[C@@](C)(OC)[C@@H](O)[C@H](C)O1)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C3=C(C)C[C@@](C)(O3)[C@]([H])(O[C@@H]4O[C@H](C)C[C@@H]([C@H]4O)N(C)C(C)C)[C@H]2C

InChI

InChIKey=FPBKIOZMKHHNLL-CBUZSSJJSA-N
InChI=1S/C39H69NO12/c1-15-27-39(12,45)32(42)22(6)30-20(4)17-38(11,52-30)34(51-36-29(41)26(16-21(5)47-36)40(13)19(2)3)23(7)31(24(8)35(44)49-27)50-28-18-37(10,46-14)33(43)25(9)48-28/h19,21-29,31-34,36,41-43,45H,15-18H2,1-14H3/t21-,22+,23+,24-,25+,26+,27-,28+,29-,31+,32-,33+,34-,36+,37-,38-,39-/m1/s1

HIDE SMILES / InChI

Molecular Formula C39H69NO12
Molecular Weight 743.9647
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 17 / 17
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:00:40 UTC 2023
Edited
by admin
on Sat Dec 16 18:00:40 UTC 2023
Record UNII
0M6189XXJN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
IDREMCINAL
INN   USAN  
USAN   INN  
Official Name English
8,9-Didehydro-N-demethyl-9-deoxo-6-deoxy-6,9-epoxy-N-isopropylerythromycin
Common Name English
EM-574
Code English
8,9-DIDEHYDRO-N-DEMETHYL-9-DEOXO-6-DEOXY-6,9-EPOXY-N-(1-METHYLETHYL)ERTHROMYCIN
Common Name English
idremcinal [INN]
Common Name English
IDREMCINAL [USAN]
Common Name English
EM574
Code English
Code System Code Type Description
NCI_THESAURUS
C166426
Created by admin on Sat Dec 16 18:00:40 UTC 2023 , Edited by admin on Sat Dec 16 18:00:40 UTC 2023
PRIMARY
CAS
110480-13-2
Created by admin on Sat Dec 16 18:00:40 UTC 2023 , Edited by admin on Sat Dec 16 18:00:40 UTC 2023
PRIMARY
PUBCHEM
84019
Created by admin on Sat Dec 16 18:00:40 UTC 2023 , Edited by admin on Sat Dec 16 18:00:40 UTC 2023
PRIMARY
INN
7837
Created by admin on Sat Dec 16 18:00:40 UTC 2023 , Edited by admin on Sat Dec 16 18:00:40 UTC 2023
PRIMARY
EPA CompTox
DTXSID10891360
Created by admin on Sat Dec 16 18:00:40 UTC 2023 , Edited by admin on Sat Dec 16 18:00:40 UTC 2023
PRIMARY
MESH
C090116
Created by admin on Sat Dec 16 18:00:40 UTC 2023 , Edited by admin on Sat Dec 16 18:00:40 UTC 2023
PRIMARY
USAN
JJ-41
Created by admin on Sat Dec 16 18:00:40 UTC 2023 , Edited by admin on Sat Dec 16 18:00:40 UTC 2023
PRIMARY
SMS_ID
300000034232
Created by admin on Sat Dec 16 18:00:40 UTC 2023 , Edited by admin on Sat Dec 16 18:00:40 UTC 2023
PRIMARY
FDA UNII
0M6189XXJN
Created by admin on Sat Dec 16 18:00:40 UTC 2023 , Edited by admin on Sat Dec 16 18:00:40 UTC 2023
PRIMARY
ChEMBL
CHEMBL2103968
Created by admin on Sat Dec 16 18:00:40 UTC 2023 , Edited by admin on Sat Dec 16 18:00:40 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> AGONIST
Related Record Type Details
ACTIVE MOIETY