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

Details

Stereochemistry ABSOLUTE
Molecular Formula C37H44N2O14
Molecular Weight 740.7503
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-Nitrorifamycin S

SMILES

CO[C@H]1\C=C\O[C@@]2(C)OC3=C(C2=O)C4=C(C(=O)C(NC(=O)C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)=C(C4=O)[N+]([O-])=O)C(O)=C3C

InChI

InChIKey=AZZVKNIEDVNCBK-GVDHMVJUSA-N
InChI=1S/C37H44N2O14/c1-15-11-10-12-16(2)36(47)38-26-27(39(48)49)32(45)23-24(31(26)44)30(43)20(6)34-25(23)35(46)37(8,53-34)51-14-13-22(50-9)17(3)33(52-21(7)40)19(5)29(42)18(4)28(15)41/h10-15,17-19,22,28-29,33,41-43H,1-9H3,(H,38,47)/b11-10+,14-13+,16-12-/t15-,17+,18+,19+,22-,28-,29+,33+,37-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
3-Nitrorifamycin S
Common Name English
Rifamycin, 1,4-dideoxy-1,4-dihydro-3-nitro-1,4-dioxo-
Systematic Name English
Code System Code Type Description
CAS
72788-67-1
Created by admin on Sat Dec 16 19:30:09 GMT 2023 , Edited by admin on Sat Dec 16 19:30:09 GMT 2023
PRIMARY
PUBCHEM
166451445
Created by admin on Sat Dec 16 19:30:09 GMT 2023 , Edited by admin on Sat Dec 16 19:30:09 GMT 2023
PRIMARY
EPA CompTox
DTXSID20714495
Created by admin on Sat Dec 16 19:30:09 GMT 2023 , Edited by admin on Sat Dec 16 19:30:09 GMT 2023
PRIMARY
FDA UNII
4G7X68L7ZT
Created by admin on Sat Dec 16 19:30:09 GMT 2023 , Edited by admin on Sat Dec 16 19:30:09 GMT 2023
PRIMARY