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

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H21N3O9
Molecular Weight 459.4061
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NITROCYCLINE

SMILES

[H][C@@]12CC3=C(C=CC(O)=C3C(=O)C1=C(O)[C@]4(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@]4([H])C2)[N+]([O-])=O

InChI

InChIKey=PHMPSHIUYYLXKR-UVPAEMEASA-N
InChI=1S/C21H21N3O9/c1-23(2)15-9-6-7-5-8-10(24(32)33)3-4-11(25)13(8)16(26)12(7)18(28)21(9,31)19(29)14(17(15)27)20(22)30/h3-4,7,9,15,25,27-28,31H,5-6H2,1-2H3,(H2,22,30)/t7-,9-,15-,21-/m0/s1

HIDE SMILES / InChI
Name Type Language
NITROCYCLINE
INN   USAN  
USAN   INN  
Official Name English
NITROCYCLINE [USAN]
Common Name English
2-NAPHTHACENECARBOXAMIDE, 4-(DIMETHYLAMINO)-1,4,4A,5,5A,6,11,12A-OCTAHYDRO-3,10,12,12A-TETRAHYDROXY-7-NITRO-1,11-DIOXO-, (4S-(4.ALPHA.,4A.ALPHA.,5A.ALPHA.,12A.ALPHA.))-
Common Name English
4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-7-nitro-1,11-dioxo-2-naphthacenecarboxamide
Common Name English
nitrocycline [INN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C1595
Created by admin on Fri Dec 15 16:32:29 GMT 2023 , Edited by admin on Fri Dec 15 16:32:29 GMT 2023
Code System Code Type Description
EVMPD
SUB09323MIG
Created by admin on Fri Dec 15 16:32:29 GMT 2023 , Edited by admin on Fri Dec 15 16:32:29 GMT 2023
PRIMARY
NCI_THESAURUS
C76992
Created by admin on Fri Dec 15 16:32:29 GMT 2023 , Edited by admin on Fri Dec 15 16:32:29 GMT 2023
PRIMARY
INN
1725
Created by admin on Fri Dec 15 16:32:29 GMT 2023 , Edited by admin on Fri Dec 15 16:32:29 GMT 2023
PRIMARY
SMS_ID
100000084121
Created by admin on Fri Dec 15 16:32:29 GMT 2023 , Edited by admin on Fri Dec 15 16:32:29 GMT 2023
PRIMARY
EPA CompTox
DTXSID601023982
Created by admin on Fri Dec 15 16:32:29 GMT 2023 , Edited by admin on Fri Dec 15 16:32:29 GMT 2023
PRIMARY
CAS
5585-59-1
Created by admin on Fri Dec 15 16:32:29 GMT 2023 , Edited by admin on Fri Dec 15 16:32:29 GMT 2023
PRIMARY
ChEMBL
CHEMBL2107132
Created by admin on Fri Dec 15 16:32:29 GMT 2023 , Edited by admin on Fri Dec 15 16:32:29 GMT 2023
PRIMARY
FDA UNII
2JH9LR1Y6S
Created by admin on Fri Dec 15 16:32:29 GMT 2023 , Edited by admin on Fri Dec 15 16:32:29 GMT 2023
PRIMARY