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

Details

Stereochemistry ABSOLUTE
Molecular Formula C59H108N6O19P.Na
Molecular Weight 1259.4812
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MIFAMURTIDE ANHYDROUS

SMILES

[Na+].CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCCNC(=O)[C@H](C)NC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](C)O[C@@H]([C@H](O)[C@H](O)CO)[C@@H](NC(C)=O)C=O)C(N)=O)OC(=O)CCCCCCCCCCCCCCC

InChI

InChIKey=LRSAONQAUPMYDK-XNLRRNFISA-M
InChI=1S/C59H109N6O19P.Na/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-52(71)80-41-47(84-53(72)34-32-30-28-26-24-22-20-18-16-14-12-10-8-2)42-82-85(78,79)81-38-37-61-57(75)43(3)62-51(70)36-35-48(56(60)74)65-58(76)44(4)63-59(77)45(5)83-55(54(73)50(69)40-67)49(39-66)64-46(6)68;/h39,43-45,47-50,54-55,67,69,73H,7-38,40-42H2,1-6H3,(H2,60,74)(H,61,75)(H,62,70)(H,63,77)(H,64,68)(H,65,76)(H,78,79);/q;+1/p-1/t43-,44-,45+,47+,48+,49-,50+,54+,55+;/m0./s1

HIDE SMILES / InChI

Molecular Formula C59H108N6O19P
Molecular Weight 1236.4914
Charge -1
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:34:33 UTC 2023
Edited
by admin
on Sat Dec 16 09:34:33 UTC 2023
Record UNII
21G81IKJ8L
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MIFAMURTIDE ANHYDROUS
Common Name English
SODIUM (5S,10R,13S,16R)-16-(((3R,4R,5S,6R)-3-ACETAMIDO-2,5-DIHYDROXY-6-(HYDROXYMETHYL)TETRAHYDRO-2H-PYRAN-4-YL)OXY)-10-CARBAMOYL-5,13-DIMETHYL-4,7,12,15-TETRAOXO-3,6,11,14-TETRAAZAHEPTADECYL ((R)-2,3-BIS(PALMITOYLOXY)PROPYL) PHOSPHATE
Systematic Name English
MIFAMURTIDE SODIUM
Common Name English
MURAMYL TRIPEPTIDE PHOSPHATIDYLETHANOLAMINE S
Common Name English
MEPACT SODIUM SALT
MI  
Common Name English
CGP-19835A
Code English
MIFAMURTIDE SODIUM SALT [MI]
Common Name English
MIFAMURTIDE SODIUM SALT
Common Name English
SODIUM (R)-2,3-BIS(PALMITOYLOXY)PROPYL ((4R,5R,7R,10S,13R,18S)-13-CARBAMOYL-4-FORMYL-7,10,18-TRIMETHYL-2,8,11,16,19-PENTAOXO-5-((1R,2R)-1,2,3-TRIHYDROXYPROPYL)-6-OXA-3,9,12,17,20-PENTAAZADOCOSAN-22-YL) PHOSPHATE
Systematic Name English
JUNOVAN
Brand Name English
MURAMYL TRIPEPTIDE PHOSPHATIDYLETHANOLAMINE SODIUM SALT
Common Name English
Code System Code Type Description
PUBCHEM
76972714
Created by admin on Sat Dec 16 09:34:34 UTC 2023 , Edited by admin on Sat Dec 16 09:34:34 UTC 2023
PRIMARY
MERCK INDEX
m7535
Created by admin on Sat Dec 16 09:34:34 UTC 2023 , Edited by admin on Sat Dec 16 09:34:34 UTC 2023
PRIMARY
SMS_ID
100000183845
Created by admin on Sat Dec 16 09:34:34 UTC 2023 , Edited by admin on Sat Dec 16 09:34:34 UTC 2023
PRIMARY
CAS
90825-43-7
Created by admin on Sat Dec 16 09:34:34 UTC 2023 , Edited by admin on Sat Dec 16 09:34:34 UTC 2023
PRIMARY
FDA UNII
21G81IKJ8L
Created by admin on Sat Dec 16 09:34:34 UTC 2023 , Edited by admin on Sat Dec 16 09:34:34 UTC 2023
PRIMARY
Related Record Type Details
SOLVATE->ANHYDROUS
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY