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

Details

Stereochemistry UNKNOWN
Molecular Formula C52H48N16O15S4
Molecular Weight 1265.296
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of THIOXAMYCIN

SMILES

CSC[C@@H]1NC(=O)[C@@H](NC(=O)C2=CSC(=N2)C3=CC=C(N=C3C4=COC(=N4)C(=C)NC(=O)C(=C)NC(=O)C5=CSC(=N5)C(C)NC(=O)C6=CSC(CNC(=O)C7=COC1=N7)=N6)C(=O)NC(=C)C(=O)NC(=C)C(=O)NC(=C)C(=O)NC(=C)C(O)=O)[C@@H](C)O

InChI

InChIKey=GATPMIKWKVOBMF-GZASFEHQSA-N
InChI=1S/C52H48N16O15S4/c1-19(38(70)55-20(2)41(73)60-25(7)52(80)81)54-39(71)21(3)56-43(75)28-11-10-27-37(62-28)29-13-82-48(64-29)23(5)58-40(72)22(4)57-45(77)32-17-86-50(66-32)24(6)59-44(76)31-16-85-35(61-31)12-53-42(74)30-14-83-49(65-30)34(15-84-9)63-47(79)36(26(8)69)68-46(78)33-18-87-51(27)67-33/h10-11,13-14,16-18,24,26,34,36,69H,1-5,7,12,15H2,6,8-9H3,(H,53,74)(H,54,71)(H,55,70)(H,56,75)(H,57,77)(H,58,72)(H,59,76)(H,60,73)(H,63,79)(H,68,78)(H,80,81)/t24?,26-,34+,36+/m1/s1

HIDE SMILES / InChI

Molecular Formula C52H48N16O15S4
Molecular Weight 1265.296
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 3 / 4
E/Z Centers 3
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 17:17:55 GMT 2025
Edited
by admin
on Tue Apr 01 17:17:55 GMT 2025
Record UNII
75W4CAQ38Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
THIOXAMYCIN
Common Name English
SULFOMYCIN I, 58-(1-CARBOXYETHENYL)-28-DEETHYLIDENE-14-DE(2-HYDROXYPROPYLIDENE)-21-DEMETHOXY-17,31-DIDEMETHYL-28-METHYL-14-((METHYLTHIO)METHYL)-30-THIA-
Preferred Name English
Code System Code Type Description
CAS
124883-37-0
Created by admin on Tue Apr 01 17:17:55 GMT 2025 , Edited by admin on Tue Apr 01 17:17:55 GMT 2025
PRIMARY
PUBCHEM
121225235
Created by admin on Tue Apr 01 17:17:55 GMT 2025 , Edited by admin on Tue Apr 01 17:17:55 GMT 2025
PRIMARY
FDA UNII
75W4CAQ38Z
Created by admin on Tue Apr 01 17:17:55 GMT 2025 , Edited by admin on Tue Apr 01 17:17:55 GMT 2025
PRIMARY