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

Details

Stereochemistry ABSOLUTE
Molecular Formula C26H34O7.C12H23N
Molecular Weight 639.8617
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 4
Charge 0

SHOW SMILES / InChI
Structure of BICYCLOHEXYLAMMONIUM FUMAGILLIN

SMILES

C1CCC(CC1)NC2CCCCC2.[H][C@@]3([C@H](OC)[C@@H](CC[C@]34CO4)OC(=O)\C=C\C=C\C=C\C=C\C(O)=O)[C@@]5(C)O[C@@H]5CC=C(C)C

InChI

InChIKey=OLRILZDTQKZQIG-PNLOCOOESA-N
InChI=1S/C26H34O7.C12H23N/c1-18(2)13-14-20-25(3,33-20)24-23(30-4)19(15-16-26(24)17-31-26)32-22(29)12-10-8-6-5-7-9-11-21(27)28;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h5-13,19-20,23-24H,14-17H2,1-4H3,(H,27,28);11-13H,1-10H2/b7-5+,8-6+,11-9+,12-10+;/t19-,20-,23-,24-,25+,26+;/m1./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
BICYCLOHEXYLAMMONIUM FUMAGILLIN
GREEN BOOK  
Common Name English
BICYCLOHEXYLAMMONIUM FUMMAGILLIN
Common Name English
FUMAGILLIN DICYCLOHEXYLAMIN
Common Name English
FUMAGILLIN DICYCLOHEXYLAMINE SALT
MI  
Common Name English
BICYCLOHEXYLAMMONIUM FUMAGILLIN [GREEN BOOK]
Common Name English
FUMAGILLIN DICYCLOHEXYLAMINE
Common Name English
FUMAGILLIN DICYCLOHEXYLAMINE SALT [MI]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C258
Created by admin on Fri Dec 15 16:10:20 UTC 2023 , Edited by admin on Fri Dec 15 16:10:20 UTC 2023
Code System Code Type Description
SMS_ID
300000023729
Created by admin on Fri Dec 15 16:10:20 UTC 2023 , Edited by admin on Fri Dec 15 16:10:20 UTC 2023
PRIMARY
NCI_THESAURUS
C81440
Created by admin on Fri Dec 15 16:10:20 UTC 2023 , Edited by admin on Fri Dec 15 16:10:20 UTC 2023
PRIMARY
FDA UNII
0W72P6E6EY
Created by admin on Fri Dec 15 16:10:20 UTC 2023 , Edited by admin on Fri Dec 15 16:10:20 UTC 2023
PRIMARY
RXCUI
1926481
Created by admin on Fri Dec 15 16:10:20 UTC 2023 , Edited by admin on Fri Dec 15 16:10:20 UTC 2023
PRIMARY
EPA CompTox
DTXSID301033441
Created by admin on Fri Dec 15 16:10:20 UTC 2023 , Edited by admin on Fri Dec 15 16:10:20 UTC 2023
PRIMARY
CAS
41567-78-6
Created by admin on Fri Dec 15 16:10:20 UTC 2023 , Edited by admin on Fri Dec 15 16:10:20 UTC 2023
PRIMARY
MERCK INDEX
m5585
Created by admin on Fri Dec 15 16:10:20 UTC 2023 , Edited by admin on Fri Dec 15 16:10:20 UTC 2023
PRIMARY Merck Index
PUBCHEM
76958970
Created by admin on Fri Dec 15 16:10:20 UTC 2023 , Edited by admin on Fri Dec 15 16:10:20 UTC 2023
PRIMARY