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

Details

Stereochemistry UNKNOWN
Molecular Formula C30H38N4O11
Molecular Weight 630.6429
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of APICYCLINE

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)NC(N5CCN(CCO)CC5)C(O)=O)=C(O)[C@H]2N(C)C

InChI

InChIKey=HRWVXKVRSNICJQ-GMJIGYHYSA-N
InChI=1S/C30H38N4O11/c1-29(44)14-5-4-6-17(36)18(14)22(37)19-15(29)13-16-21(32(2)3)23(38)20(25(40)30(16,45)24(19)39)27(41)31-26(28(42)43)34-9-7-33(8-10-34)11-12-35/h4-6,15-16,21,26,35-36,38-39,44-45H,7-13H2,1-3H3,(H,31,41)(H,42,43)/t15-,16-,21-,26?,29+,30-/m0/s1

HIDE SMILES / InChI
Name Type Language
APICYCLINE
INN   MI  
INN  
Official Name English
apicycline [INN]
Common Name English
RIT-1140
Code English
.ALPHA.-(4-(DIMETHYLAMINO)-1,4,4A,5,5A,6,11,12A-OCTAHYDRO-3,6,10,12,12A-PENTAHYDROXY-6-METHYL-1,11-DIOXO-2-NAPHTHACENECARBOXAMIDO)-4-(2-HYDROXYETHYL)-1-PIPERAZINEACETIC ACID
Common Name English
APICYCLINE [MI]
Common Name English
RIT 1140
Code English
Classification Tree Code System Code
NCI_THESAURUS C1595
Created by admin on Sat Dec 16 15:57:55 GMT 2023 , Edited by admin on Sat Dec 16 15:57:55 GMT 2023
Code System Code Type Description
SMS_ID
100000086957
Created by admin on Sat Dec 16 15:57:55 GMT 2023 , Edited by admin on Sat Dec 16 15:57:55 GMT 2023
PRIMARY
MERCK INDEX
m53
Created by admin on Sat Dec 16 15:57:55 GMT 2023 , Edited by admin on Sat Dec 16 15:57:55 GMT 2023
PRIMARY Merck Index
ChEMBL
CHEMBL2104382
Created by admin on Sat Dec 16 15:57:55 GMT 2023 , Edited by admin on Sat Dec 16 15:57:55 GMT 2023
PRIMARY
INN
2278
Created by admin on Sat Dec 16 15:57:55 GMT 2023 , Edited by admin on Sat Dec 16 15:57:55 GMT 2023
PRIMARY
NCI_THESAURUS
C76235
Created by admin on Sat Dec 16 15:57:55 GMT 2023 , Edited by admin on Sat Dec 16 15:57:55 GMT 2023
PRIMARY
CAS
15599-51-6
Created by admin on Sat Dec 16 15:57:55 GMT 2023 , Edited by admin on Sat Dec 16 15:57:55 GMT 2023
PRIMARY
EVMPD
SUB05537MIG
Created by admin on Sat Dec 16 15:57:55 GMT 2023 , Edited by admin on Sat Dec 16 15:57:55 GMT 2023
PRIMARY
EPA CompTox
DTXSID301043123
Created by admin on Sat Dec 16 15:57:55 GMT 2023 , Edited by admin on Sat Dec 16 15:57:55 GMT 2023
PRIMARY
FDA UNII
T1Y573BS7H
Created by admin on Sat Dec 16 15:57:55 GMT 2023 , Edited by admin on Sat Dec 16 15:57:55 GMT 2023
PRIMARY