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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H24N2O5S.Na.H
Molecular Weight 380.435
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of CILASTATIN SODIUM

SMILES

[H+].[Na+].CC1(C)C[C@@H]1C(=O)N\C(=C/CCCCSC[C@H](N)C([O-])=O)C([O-])=O

InChI

InChIKey=QXPBTTUOVWMPJN-QBNHLFMHSA-M
InChI=1S/C16H26N2O5S.Na/c1-16(2)8-10(16)13(19)18-12(15(22)23)6-4-3-5-7-24-9-11(17)14(20)21;/h6,10-11H,3-5,7-9,17H2,1-2H3,(H,18,19)(H,20,21)(H,22,23);/q;+1/p-1/b12-6-;/t10-,11+;/m1./s1

HIDE SMILES / InChI
Molecular Formula C16H24N2O5S
Molecular Weight 356.437
Charge -2
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 1
Optical Activity UNSPECIFIED
Molecular Formula H
Molecular Weight 1.0079
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE
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

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:23:48 UTC 2023
Edited
by admin
on Fri Dec 15 15:23:48 UTC 2023
Record UNII
5428WXZ74M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CILASTATIN SODIUM
EP   MART.   ORANGE BOOK   USAN   USP   VANDF   WHO-DD  
USAN  
Official Name English
CILASTATIN SODIUM [JAN]
Common Name English
CILASTATIN SODIUM [USP IMPURITY]
Common Name English
CILASTATIN SODIUM [USAN]
Common Name English
2-HEPTENOIC ACID, 7-((2-AMINO-2-CARBOXYETHYL)THIO)-2-(((2,2-DIMETHYLCYCLOPROPYL)CARBONYL)AMINO)-, MONOSODIUM SALT, (R-(R*,S*-(Z)))-
Common Name English
CILASTATIN SODIUM [EP IMPURITY]
Common Name English
MK-7655A component CILASTATIN SODIUM
Common Name English
CILASTATIN SODIUM [VANDF]
Common Name English
CILASTATIN SODIUM COMPONENT OF RECARBRIO
Brand Name English
Sodium (Z)-7-[[(R)-2-amino-2-carboxyethyl]thio]-2-[(S)-2,2-dimethylcyclopropanecarboxamido]-2-heptenoate
Systematic Name English
CILASTATIN SODIUM [MART.]
Common Name English
Cilastatin sodium [WHO-DD]
Common Name English
CILASTATIN SODIUM COMPONENT OF PRIMAXIN
Common Name English
CILASTATIN SODIUM [ORANGE BOOK]
Common Name English
CILASTATIN SODIUM SALT
MI  
Common Name English
RECARBRIO COMPONENT CILASTATIN SODIUM
Brand Name English
MK-791
Code English
CILASTATIN SODIUM [EP MONOGRAPH]
Common Name English
PRIMAXIN COMPONENT CILASTATIN SODIUM
Common Name English
CILASTATIN SODIUM [USP MONOGRAPH]
Common Name English
CILASTATIN SODIUM SALT [MI]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C783
Created by admin on Fri Dec 15 15:23:48 UTC 2023 , Edited by admin on Fri Dec 15 15:23:48 UTC 2023
Code System Code Type Description
CHEBI
59511
Created by admin on Fri Dec 15 15:23:48 UTC 2023 , Edited by admin on Fri Dec 15 15:23:48 UTC 2023
PRIMARY
MERCK INDEX
m3544
Created by admin on Fri Dec 15 15:23:48 UTC 2023 , Edited by admin on Fri Dec 15 15:23:48 UTC 2023
PRIMARY Merck Index
SMS_ID
100000090185
Created by admin on Fri Dec 15 15:23:48 UTC 2023 , Edited by admin on Fri Dec 15 15:23:48 UTC 2023
PRIMARY
FDA UNII
5428WXZ74M
Created by admin on Fri Dec 15 15:23:48 UTC 2023 , Edited by admin on Fri Dec 15 15:23:48 UTC 2023
PRIMARY
EVMPD
SUB01295MIG
Created by admin on Fri Dec 15 15:23:48 UTC 2023 , Edited by admin on Fri Dec 15 15:23:48 UTC 2023
PRIMARY
ECHA (EC/EINECS)
279-694-4
Created by admin on Fri Dec 15 15:23:48 UTC 2023 , Edited by admin on Fri Dec 15 15:23:48 UTC 2023
PRIMARY
DRUG BANK
DBSALT001295
Created by admin on Fri Dec 15 15:23:48 UTC 2023 , Edited by admin on Fri Dec 15 15:23:48 UTC 2023
PRIMARY
ChEMBL
CHEMBL766
Created by admin on Fri Dec 15 15:23:48 UTC 2023 , Edited by admin on Fri Dec 15 15:23:48 UTC 2023
PRIMARY
PUBCHEM
23663403
Created by admin on Fri Dec 15 15:23:48 UTC 2023 , Edited by admin on Fri Dec 15 15:23:48 UTC 2023
PRIMARY
NCI_THESAURUS
C65329
Created by admin on Fri Dec 15 15:23:48 UTC 2023 , Edited by admin on Fri Dec 15 15:23:48 UTC 2023
PRIMARY
USAN
T-85
Created by admin on Fri Dec 15 15:23:48 UTC 2023 , Edited by admin on Fri Dec 15 15:23:48 UTC 2023
PRIMARY
RXCUI
82128
Created by admin on Fri Dec 15 15:23:48 UTC 2023 , Edited by admin on Fri Dec 15 15:23:48 UTC 2023
PRIMARY RxNorm
EPA CompTox
DTXSID2046915
Created by admin on Fri Dec 15 15:23:48 UTC 2023 , Edited by admin on Fri Dec 15 15:23:48 UTC 2023
PRIMARY
CAS
81129-83-1
Created by admin on Fri Dec 15 15:23:48 UTC 2023 , Edited by admin on Fri Dec 15 15:23:48 UTC 2023
PRIMARY
DAILYMED
5428WXZ74M
Created by admin on Fri Dec 15 15:23:48 UTC 2023 , Edited by admin on Fri Dec 15 15:23:48 UTC 2023
PRIMARY
Related Record Type Details
Structure of CILASTATIN
PARENT -> SALT/SOLVATE
Related Record Type Details
Structure of MESITYL OXIDE
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of 7-(((2R)-2-AMINO-2-CARBOXYETHYL)SULFANYL)-2-OXOHEPTANOIC ACID
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Related Record Type Details
Structure of CILASTATIN
ACTIVE MOIETY
NIH
NCATS
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