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Details

Stereochemistry EPIMERIC
Molecular Formula C29H35N3O10
Molecular Weight 585.6023
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PECOCYCLINE

SMILES

[H][C@]12C[C@@]3([H])[C@]([H])(N(C)C)C(O)=C(C(=O)NCN4CCCC(C4)C(O)=O)C(=O)[C@@]3(O)C(O)=C1C(=O)C5=C(O)C=CC=C5[C@@]2(C)O

InChI

InChIKey=LYOHRYSQMOWAQT-OSCKIKFWSA-N
InChI=1S/C29H35N3O10/c1-28(41)14-7-4-8-17(33)18(14)22(34)19-15(28)10-16-21(31(2)3)23(35)20(25(37)29(16,42)24(19)36)26(38)30-12-32-9-5-6-13(11-32)27(39)40/h4,7-8,13,15-16,21,33,35-36,41-42H,5-6,9-12H2,1-3H3,(H,30,38)(H,39,40)/t13?,15-,16-,21-,28+,29-/m0/s1

HIDE SMILES / InChI
Name Type Language
PECOCYCLINE
INN  
INN  
Official Name English
N-((4-(DIMETHYLAMINO)-1,4,4A,5,5A,6,11,12A-OCTAHYDRO-3,6,10,12,12A-PENTAHYDROXY-6-METHYL-1,11-DIOXO-2-NAPHTHACENE CARBOXAMIDO)METHYL)NIPECOTIC ACID
Common Name English
pecocycline [INN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C258
Created by admin on Fri Dec 15 15:29:21 GMT 2023 , Edited by admin on Fri Dec 15 15:29:21 GMT 2023
Code System Code Type Description
EPA CompTox
DTXSID001043112
Created by admin on Fri Dec 15 15:29:21 GMT 2023 , Edited by admin on Fri Dec 15 15:29:21 GMT 2023
PRIMARY
INN
1951
Created by admin on Fri Dec 15 15:29:21 GMT 2023 , Edited by admin on Fri Dec 15 15:29:21 GMT 2023
PRIMARY
FDA UNII
0CG6O25ZC4
Created by admin on Fri Dec 15 15:29:21 GMT 2023 , Edited by admin on Fri Dec 15 15:29:21 GMT 2023
PRIMARY
CAS
15301-82-3
Created by admin on Fri Dec 15 15:29:21 GMT 2023 , Edited by admin on Fri Dec 15 15:29:21 GMT 2023
PRIMARY
ChEMBL
CHEMBL2103905
Created by admin on Fri Dec 15 15:29:21 GMT 2023 , Edited by admin on Fri Dec 15 15:29:21 GMT 2023
PRIMARY
EVMPD
SUB09644MIG
Created by admin on Fri Dec 15 15:29:21 GMT 2023 , Edited by admin on Fri Dec 15 15:29:21 GMT 2023
PRIMARY
SMS_ID
100000083024
Created by admin on Fri Dec 15 15:29:21 GMT 2023 , Edited by admin on Fri Dec 15 15:29:21 GMT 2023
PRIMARY
NCI_THESAURUS
C81439
Created by admin on Fri Dec 15 15:29:21 GMT 2023 , Edited by admin on Fri Dec 15 15:29:21 GMT 2023
PRIMARY