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Details

Stereochemistry ABSOLUTE
Molecular Formula C29H40N4O7
Molecular Weight 556.6505
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of OMADACYCLINE

SMILES

CN(C)[C@H]1[C@@H]2C[C@@H]3CC4=C(C=C(CNCC(C)(C)C)C(O)=C4C(=O)C3=C(O)[C@]2(O)C(=O)C(C(N)=O)=C1O)N(C)C

InChI

InChIKey=JEECQCWWSTZDCK-IQZGDKDPSA-N
InChI=1S/C29H40N4O7/c1-28(2,3)12-31-11-14-10-17(32(4)5)15-8-13-9-16-21(33(6)7)24(36)20(27(30)39)26(38)29(16,40)25(37)18(13)23(35)19(15)22(14)34/h10,13,16,21,31,34,36-37,40H,8-9,11-12H2,1-7H3,(H2,30,39)/t13-,16-,21-,29-/m0/s1

HIDE SMILES / InChI

Molecular Formula C29H40N4O7
Molecular Weight 556.6505
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Substance Class Chemical
Created
by admin
on Tue Mar 06 17:04:33 UTC 2018
Edited
by admin
on Tue Mar 06 17:04:33 UTC 2018
Record UNII
090IP5RV8F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
OMADACYCLINE
INN   USAN   WHO-DD  
USAN   INN  
Official Name English
OMADACYCLINE [INN]
Common Name English
OMADACYCLINE [WHO-DD]
Common Name English
2-NAPHTHACENECARBOXAMIDE, 4,7-BIS(DIMETHYLAMINO)-9-(((2,2-DIMETHYLPROPYL)AMINO)METHYL)-1,4,4A,5,5A,6,11,12A-OCTAHYDRO-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-, (4S,4AS,5AR,12AS)-
Common Name English
AMADACYCLINE
Common Name English
(4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-9-(((2,2-DIMETHYLPROPYL)AMINO)METHYL)-3,10,12,12A- TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2-CARBOXAMIDE
Common Name English
BAY 73-6944
Code English
OMADACYCLINE [USAN]
Common Name English
Code System Code Type Description
PUBCHEM
54697325
Created by admin on Tue Mar 06 17:04:33 UTC 2018 , Edited by admin on Tue Mar 06 17:04:33 UTC 2018
PRIMARY SWITZERF
EVMPD
SUB181298
Created by admin on Tue Mar 06 17:04:33 UTC 2018 , Edited by admin on Tue Mar 06 17:04:33 UTC 2018
PRIMARY
CAS
389139-89-3
Created by admin on Tue Mar 06 17:04:33 UTC 2018 , Edited by admin on Tue Mar 06 17:04:33 UTC 2018
PRIMARY
ChEMBL
CHEMBL1689772
Created by admin on Tue Mar 06 17:04:33 UTC 2018 , Edited by admin on Tue Mar 06 17:04:33 UTC 2018
PRIMARY
INN
9186
Created by admin on Tue Mar 06 17:04:33 UTC 2018 , Edited by admin on Tue Mar 06 17:04:33 UTC 2018
PRIMARY
NCI_THESAURUS
C90688
Created by admin on Tue Mar 06 17:04:33 UTC 2018 , Edited by admin on Tue Mar 06 17:04:33 UTC 2018
PRIMARY
Related Record Type Details
ACTIVE MOIETY