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

Details

Stereochemistry ABSOLUTE
Molecular Formula C45H73BNO15.Na
Molecular Weight 901.86
Optical Activity UNSPECIFIED
Defined Stereocenters 16 / 17
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BOROMYCIN SODIUM

SMILES

[Na+].[H][C@]12CC[C@@H](C)[C@]3(O[B-]45O[C@@H](C(=O)O[C@H]6C[C@@H](CCC[C@@H](O)C1(C)C)O[C@@H]6C)[C@@]7(O4)O[C@@]([H])(CC[C@H]7C)C(C)(C)[C@@H](O)CCC=CC[C@H](OC(=O)[C@@H]3O5)[C@@H](C)OC(=O)[C@H](N)C(C)C)O2

InChI

InChIKey=CNJOVRNTHIZUOI-IAMSYOIKSA-N
InChI=1S/C45H73BNO15.Na/c1-24(2)36(47)39(50)54-27(5)30-16-12-11-13-17-32(48)42(7,8)34-21-19-26(4)45(57-34)38-41(52)56-31-23-29(53-28(31)6)15-14-18-33(49)43(9,10)35-22-20-25(3)44(58-35)37(40(51)55-30)59-46(60-38,61-44)62-45;/h11-12,24-38,48-49H,13-23,47H2,1-10H3;/q-1;+1/b12-11-;/t25-,26-,27-,28-,29-,30+,31+,32+,33-,34+,35+,36-,37+,38+,44-,45-,46?;/m1./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
BOROMYCIN SODIUM
Common Name English
Code System Code Type Description
PUBCHEM
73425447
Created by admin on Sat Dec 16 08:07:34 GMT 2023 , Edited by admin on Sat Dec 16 08:07:34 GMT 2023
PRIMARY
CAS
55222-09-8
Created by admin on Sat Dec 16 08:07:34 GMT 2023 , Edited by admin on Sat Dec 16 08:07:34 GMT 2023
PRIMARY
FDA UNII
4009M2TI8K
Created by admin on Sat Dec 16 08:07:34 GMT 2023 , Edited by admin on Sat Dec 16 08:07:34 GMT 2023
PRIMARY