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

Details

Stereochemistry ABSOLUTE
Molecular Formula C46H78N2O15
Molecular Weight 899.1159
Optical Activity UNSPECIFIED
Defined Stereocenters 19 / 19
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SPIRAMYCIN III

SMILES

CCC(=O)O[C@@H]1CC(=O)O[C@H](C)C\C=C\C=C\[C@H](O[C@H]2CC[C@@H]([C@@H](C)O2)N(C)C)[C@H](C)C[C@H](CC=O)[C@H](O[C@@H]3O[C@H](C)[C@@H](O[C@H]4C[C@@](C)(O)[C@@H](O)[C@H](C)O4)[C@@H]([C@H]3O)N(C)C)[C@H]1OC

InChI

InChIKey=HSZLKTCKAYXVBX-LYIMTGTFSA-N
InChI=1S/C46H78N2O15/c1-13-35(50)60-34-24-36(51)56-27(3)17-15-14-16-18-33(61-37-20-19-32(47(8)9)28(4)57-37)26(2)23-31(21-22-49)42(43(34)55-12)63-45-40(52)39(48(10)11)41(29(5)59-45)62-38-25-46(7,54)44(53)30(6)58-38/h14-16,18,22,26-34,37-45,52-54H,13,17,19-21,23-25H2,1-12H3/b15-14+,18-16+/t26-,27-,28-,29-,30+,31+,32+,33+,34-,37+,38+,39-,40-,41-,42+,43+,44+,45+,46-/m1/s1

HIDE SMILES / InChI

Molecular Formula C46H78N2O15
Molecular Weight 899.1159
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 19 / 19
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 18:14:22 GMT 2025
Edited
by admin
on Mon Mar 31 18:14:22 GMT 2025
Record UNII
0NHE9TRJ93
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FOROMACIDIN C
Preferred Name English
SPIRAMYCIN III
MI  
Common Name English
SPIRAMYCIN III [MI]
Common Name English
Code System Code Type Description
MESH
C087816
Created by admin on Mon Mar 31 18:14:22 GMT 2025 , Edited by admin on Mon Mar 31 18:14:22 GMT 2025
PRIMARY
FDA UNII
0NHE9TRJ93
Created by admin on Mon Mar 31 18:14:22 GMT 2025 , Edited by admin on Mon Mar 31 18:14:22 GMT 2025
PRIMARY
SMS_ID
100000183689
Created by admin on Mon Mar 31 18:14:22 GMT 2025 , Edited by admin on Mon Mar 31 18:14:22 GMT 2025
PRIMARY
CAS
24916-52-7
Created by admin on Mon Mar 31 18:14:22 GMT 2025 , Edited by admin on Mon Mar 31 18:14:22 GMT 2025
PRIMARY
PUBCHEM
53297409
Created by admin on Mon Mar 31 18:14:22 GMT 2025 , Edited by admin on Mon Mar 31 18:14:22 GMT 2025
PRIMARY
MERCK INDEX
m10149
Created by admin on Mon Mar 31 18:14:22 GMT 2025 , Edited by admin on Mon Mar 31 18:14:22 GMT 2025
PRIMARY Merck Index
EPA CompTox
DTXSID9023596
Created by admin on Mon Mar 31 18:14:22 GMT 2025 , Edited by admin on Mon Mar 31 18:14:22 GMT 2025
PRIMARY
DRUG CENTRAL
2473
Created by admin on Mon Mar 31 18:14:22 GMT 2025 , Edited by admin on Mon Mar 31 18:14:22 GMT 2025
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY