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

Details

Stereochemistry ABSOLUTE
Molecular Formula C50H60N6O16
Molecular Weight 1001.042
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ETAMOCYCLINE

SMILES

[H][C@@]12C[C@@]3([H])C(C(=O)C4=C(O)C=CC=C4[C@@]3(C)O)=C(O)[C@]1(O)C(=O)C(C(=O)NCN(C)CCN(C)CNC(=O)C5=C(O)[C@@H](N(C)C)[C@]6([H])C[C@@]7([H])C(C(=O)C8=C(O)C=CC=C8[C@@]7(C)O)=C(O)[C@]6(O)C5=O)=C(O)[C@H]2N(C)C

InChI

InChIKey=BZUKDLNEDCDORL-ULRSWZSCSA-N
InChI=1S/C50H60N6O16/c1-47(69)21-11-9-13-27(57)29(21)37(59)31-23(47)17-25-35(53(3)4)39(61)33(43(65)49(25,71)41(31)63)45(67)51-19-55(7)15-16-56(8)20-52-46(68)34-40(62)36(54(5)6)26-18-24-32(42(64)50(26,72)44(34)66)38(60)30-22(48(24,2)70)12-10-14-28(30)58/h9-14,23-26,35-36,57-58,61-64,69-72H,15-20H2,1-8H3,(H,51,67)(H,52,68)/t23-,24-,25-,26-,35-,36-,47+,48+,49-,50-/m0/s1

HIDE SMILES / InChI
Etamocycline is a broad-spectrum antibiotic. It was studied in the treatment of bronchopulmonary and gastrointestinal infectious diseases.

Approval Year

PubMed

PubMed

TitleDatePubMed
[Etamocycline, new antibiotic molecule; its therapeutic value].
1968 Jan
[Etamocycline for bronchopulmonary diseases].
1969 Feb
Name Type Language
ETAMOCYCLINE
INN  
INN  
Official Name English
etamocycline [INN]
Common Name English
N,N,-(ETHYLENEBIS((METHYLIMINO)METHYLENE))BIS-(4'-(DIMETHYLAMINO)-1,4,4A,5,5A,6,11,12A-OCTAHYDRO-3,6,10,12,12A-PENTAHYDROXY-6-METHYL-1,11-DIOXO-2-NAPHTHACENECARBOXAMIDE)
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C1595
Created by admin on Fri Dec 15 16:36:52 GMT 2023 , Edited by admin on Fri Dec 15 16:36:52 GMT 2023
Code System Code Type Description
EPA CompTox
DTXSID901043119
Created by admin on Fri Dec 15 16:36:52 GMT 2023 , Edited by admin on Fri Dec 15 16:36:52 GMT 2023
PRIMARY
ECHA (EC/EINECS)
239-653-3
Created by admin on Fri Dec 15 16:36:52 GMT 2023 , Edited by admin on Fri Dec 15 16:36:52 GMT 2023
PRIMARY
INN
2273
Created by admin on Fri Dec 15 16:36:52 GMT 2023 , Edited by admin on Fri Dec 15 16:36:52 GMT 2023
PRIMARY
NCI_THESAURUS
C65552
Created by admin on Fri Dec 15 16:36:52 GMT 2023 , Edited by admin on Fri Dec 15 16:36:52 GMT 2023
PRIMARY
SMS_ID
100000082388
Created by admin on Fri Dec 15 16:36:52 GMT 2023 , Edited by admin on Fri Dec 15 16:36:52 GMT 2023
PRIMARY
EVMPD
SUB07260MIG
Created by admin on Fri Dec 15 16:36:52 GMT 2023 , Edited by admin on Fri Dec 15 16:36:52 GMT 2023
PRIMARY
MESH
C002269
Created by admin on Fri Dec 15 16:36:52 GMT 2023 , Edited by admin on Fri Dec 15 16:36:52 GMT 2023
PRIMARY
FDA UNII
96D1L38S9Q
Created by admin on Fri Dec 15 16:36:52 GMT 2023 , Edited by admin on Fri Dec 15 16:36:52 GMT 2023
PRIMARY
CAS
15590-00-8
Created by admin on Fri Dec 15 16:36:52 GMT 2023 , Edited by admin on Fri Dec 15 16:36:52 GMT 2023
PRIMARY
ChEMBL
CHEMBL2103955
Created by admin on Fri Dec 15 16:36:52 GMT 2023 , Edited by admin on Fri Dec 15 16:36:52 GMT 2023
PRIMARY