Basic Searches
Searches without any special characters (listed below) will return items that contain the exact value(s) entered in the search field. This means that searching for "ASPIRIN CALCIUM" won't return any items that have "ASPIRIN GLYCINE CALCIUM" because the search term doesn't match exactly.
Boolean Operators
OR - searches with terms separated by " OR " will return items that contain any of the terms in the search.
Example: "ASPIRIN" OR "CALCIUM" will return items that have strings like "ASPIRIN GLYCINE" and "GLYCINE CALCIUM" because they contain at least one of the terms in the search.

AND - searches with terms separated by " AND " will return items that contain all the terms in the search.
Example: "ASPIRIN" AND "CALCIUM" won't return items that have strings "ASPIRIN GLYCINE" and "GLYCINE CALCIUM" because neither contain both terms, but it will return "ASPIRIN GLYCINE CALCIUM" because it contains both search terms.
version 2.7.1
Substance Class Chemical
Record UNII
9T47E4OM16
Record Status Validated
Record Version
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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H19N5O6.2Na.7H2O
Molecular Weight 597.4813
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0
Created by admin on Wed Aug 04 01:47:46 EDT 2021
Edited by admin on Wed Aug 04 01:47:46 EDT 2021
Structure of PEMETREXED DISODIUM HEPTAHYDRATE

Systematic Names:

  • None recorded

SMILES

O.O.O.O.O.O.O.[Na+].[Na+].NC1=NC2=C(C(CCC3=CC=C(C=C3)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O)=CN2)C(=O)N1

InChI

QJVSMHJWAOSBMD-MYXYZBIASA-L
InChI=1S/C20H21N5O6.2Na.7H2O/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27;;;;;;;;;/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29);;;7*1H2/q;2*+1;;;;;;;/p-2/t13-;;;;;;;;;/m0........./s1
Name Type Language Details Access References
PEMETREXED DISODIUM HEPTAHYDRATE
WHO-DD  
Common Name
English  
PEMETREXED SODIUM HYDRATE [JAN]
Common Name
English  
PEMETREXED SODIUM HYDRATE
JAN  
Common Name
English  
PEMETREXED DISODIUM [MART.]
Common Name
English  
PEMETREXED DISODIUM HEPTAHYDRATE [WHO-DD]
Common Name
English  
PEMETREXED DISODIUM HEPTAHYDRATE [EP MONOGRAPH]
Common Name
English  
L-GLUTAMIC ACID, N-(4-(2-(2-AMINO-4,7-DIHYDRO-4-OXO-3H-PYRROLO(2,3-D)PYRIMIDIN-5-YL)ETHYL)BENZOYL)-, SODIUM SALT, HYDRATE (1:2:7)
Common Name
English  
L-GLUTAMIC ACID, N-(4-(2-(2-AMINO-4,7-DIHYDRO-4-OXO-1H-PYRROLO(2,3-D)PYRIMIDIN-5-YL)ETHYL)BENZOYL)-, DISODIUM SALT, HEPTAHYDRATE
Common Name
English  
Code System Code Type Description Access References
CAS
357166-29-1
Created by admin on Wed Aug 04 01:47:46 EDT 2021 , Edited by admin on Wed Aug 04 01:47:46 EDT 2021
PRIMARY
EVMPD
SUB25194
Created by admin on Wed Aug 04 01:47:46 EDT 2021 , Edited by admin on Wed Aug 04 01:47:46 EDT 2021
PRIMARY
EVMPD
SUB22653
Created by admin on Wed Aug 04 01:47:46 EDT 2021 , Edited by admin on Wed Aug 04 01:47:46 EDT 2021
PRIMARY
DRUG BANK
DBSALT001641
Created by admin on Wed Aug 04 01:47:46 EDT 2021 , Edited by admin on Wed Aug 04 01:47:46 EDT 2021
PRIMARY
EPA CompTox
357166-29-1
Created by admin on Wed Aug 04 01:47:46 EDT 2021 , Edited by admin on Wed Aug 04 01:47:46 EDT 2021
PRIMARY
FDA UNII
9T47E4OM16
Created by admin on Wed Aug 04 01:47:46 EDT 2021 , Edited by admin on Wed Aug 04 01:47:46 EDT 2021
PRIMARY
PUBCHEM
135564751
Created by admin on Wed Aug 04 01:47:46 EDT 2021 , Edited by admin on Wed Aug 04 01:47:46 EDT 2021
PRIMARY
RXCUI
1666923
Created by admin on Wed Aug 04 01:47:46 EDT 2021 , Edited by admin on Wed Aug 04 01:47:46 EDT 2021
PRIMARY RxNorm
Related Record Type Details Access References
PARENT -> SALT/SOLVATE
none
none
Mediator Substance Details
none
Created by admin on Wed Aug 04 01:47:46 EDT 2021 , Edited by admin on Wed Aug 04 01:47:46 EDT 2021
Related Record Type Details Access References
IMPURITY -> PARENT
Mediator Substance Details
none
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Created by admin on Wed Aug 04 01:47:46 EDT 2021 , Edited by admin on Wed Aug 04 01:47:46 EDT 2021
IMPURITY -> PARENT
Mediator Substance Details
none
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Created by admin on Wed Aug 04 01:47:46 EDT 2021 , Edited by admin on Wed Aug 04 01:47:46 EDT 2021
Related Record Type Details Access References
ACTIVE MOIETY
none
none
Mediator Substance Details
none
Created by admin on Wed Aug 04 01:47:46 EDT 2021 , Edited by admin on Wed Aug 04 01:47:46 EDT 2021
Note Access References
[Validation]WARNING:Each fragment should be present as a separate record in the database. Please register: O
[Validation]WARNING:Each fragment should be present as a separate record in the database. Please register: [Na+]
[Validation]WARNING:Each fragment should be present as a separate record in the database. Please register: NC1=NC(=O)C2=C(NC=C2CCC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)N1
Created Wed Aug 04 01:47:46 EDT 2021
Created By admin
Last Edited Wed Aug 04 01:47:46 EDT 2021
Last Edited By admin
Index Source Text / Citation Source Type Tags Date Accessed File Access
1 PEMETREXED SODIUM HYDRATE [JAN] SRS_LOCATOR
2 MART SRS NOMEN
3 stn SRS NOMEN PUBLIC_DOMAIN_RELEASE AUTO_SELECTED
4 WHO-DD SRS NOMEN
5 PEMETREXED DISODIUM HEPTAHYDRATE [WHO-DD] SRS_LOCATOR
6 GSRS System-generated Validation messages VALIDATION_MESSAGE Wed Aug 04 01:47:44 EDT 2021
7 EP 10.5 EP NOMEN PUBLIC_DOMAIN_RELEASE
8 ALIMTA SRS NOMEN
9 EP 10.5 EP NOMEN PUBLIC_DOMAIN_RELEASE
10 EP 10.5 EP NOMEN PUBLIC_DOMAIN_RELEASE
11 STN STN (SCIFINDER)
12 SRS CODE IMPORT SRS NOMEN Fri Apr 28 14:47:48 EDT 2017
13 SYSTEM
14 PUBCHEM PUBCHEM
15 STN SRS NOMEN
16 EP 10.5 EP
17 dump-public-2021-07-22_UPDATED.gsrs BATCH_IMPORT Wed Aug 04 01:47:44 EDT 2021
18 WEBSITE WEBSITE NOMEN PUBLIC_DOMAIN_RELEASE
19 EP 10.5 EP NOMEN PUBLIC_DOMAIN_RELEASE
20 SRS import [9T47E4OM16] SRS NOMEN Fri Apr 28 14:47:48 EDT 2017
21 EP 10.5 EP NOMEN PUBLIC_DOMAIN_RELEASE
22 JAN SRS NOMEN

Molecular Formula C20H21N5O6
Molecular Weight 427.4106
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
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

Molecular Formula H2O
Molecular Weight 18.0153
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE