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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H20N8O5
Molecular Weight 440.4127
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AMINOPTERIN

SMILES

NC1=NC(N)=C2N=C(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)C=NC2=N1

InChI

InChIKey=TVZGACDUOSZQKY-LBPRGKRZSA-N
InChI=1S/C19H20N8O5/c20-15-14-16(27-19(21)26-15)23-8-11(24-14)7-22-10-3-1-9(2-4-10)17(30)25-12(18(31)32)5-6-13(28)29/h1-4,8,12,22H,5-7H2,(H,25,30)(H,28,29)(H,31,32)(H4,20,21,23,26,27)/t12-/m0/s1

HIDE SMILES / InChI
Molecular Formula C19H20N8O5
Molecular Weight 440.4127
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:14:42 UTC 2023
Edited
by admin
on Fri Dec 15 15:14:42 UTC 2023
Record UNII
JYB41CTM2Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AMINOPTERIN
HSDB   MI   WHO-DD  
Common Name English
AMINOPTERIN [MI]
Common Name English
METHOTREXATE IMPURITY B [EP IMPURITY]
Common Name English
METHOTREXATE RELATED COMPOUND B
USP   USP-RS  
Common Name English
Aminopterin [WHO-DD]
Common Name English
4-AMINO-PGA
Common Name English
AMINOTREXATE
Brand Name English
N-(P-(((2,4-DIAMINO-6-PTERIDINYL)METHYL)AMINO)BENZOYL)GLUTAMIC ACID
Common Name English
N-(4-(((2,4-DIAMINO-6-PTERIDINYL)METHYL)AMINO)BENZOYL)-L-GLUTAMIC ACID
Systematic Name English
METHOTREXATE RELATED COMPOUND B [USP-RS]
Common Name English
AMINOPTERIN [HSDB]
Common Name English
NSC-739
Code English
METHOTREXATE RELATED COMPOUND B [USP IMPURITY]
Common Name English
4-AMINOFOLIC ACID
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C2153
Created by admin on Fri Dec 15 15:14:42 UTC 2023 , Edited by admin on Fri Dec 15 15:14:42 UTC 2023
NCI_THESAURUS C511
Created by admin on Fri Dec 15 15:14:42 UTC 2023 , Edited by admin on Fri Dec 15 15:14:42 UTC 2023
Code System Code Type Description
RS_ITEM_NUM
1414025
Created by admin on Fri Dec 15 15:14:42 UTC 2023 , Edited by admin on Fri Dec 15 15:14:42 UTC 2023
PRIMARY
NCI_THESAURUS
C235
Created by admin on Fri Dec 15 15:14:42 UTC 2023 , Edited by admin on Fri Dec 15 15:14:42 UTC 2023
PRIMARY
ECHA (EC/EINECS)
200-209-9
Created by admin on Fri Dec 15 15:14:42 UTC 2023 , Edited by admin on Fri Dec 15 15:14:42 UTC 2023
PRIMARY
DRUG CENTRAL
21
Created by admin on Fri Dec 15 15:14:42 UTC 2023 , Edited by admin on Fri Dec 15 15:14:42 UTC 2023
PRIMARY
MERCK INDEX
m1738
Created by admin on Fri Dec 15 15:14:42 UTC 2023 , Edited by admin on Fri Dec 15 15:14:42 UTC 2023
PRIMARY Merck Index
NSC
739
Created by admin on Fri Dec 15 15:14:42 UTC 2023 , Edited by admin on Fri Dec 15 15:14:42 UTC 2023
PRIMARY
WIKIPEDIA
AMINOPTERIN
Created by admin on Fri Dec 15 15:14:42 UTC 2023 , Edited by admin on Fri Dec 15 15:14:42 UTC 2023
PRIMARY
CHEBI
22526
Created by admin on Fri Dec 15 15:14:42 UTC 2023 , Edited by admin on Fri Dec 15 15:14:42 UTC 2023
PRIMARY
RXCUI
1440264
Created by admin on Fri Dec 15 15:14:42 UTC 2023 , Edited by admin on Fri Dec 15 15:14:42 UTC 2023
PRIMARY RxNorm
FDA UNII
JYB41CTM2Q
Created by admin on Fri Dec 15 15:14:42 UTC 2023 , Edited by admin on Fri Dec 15 15:14:42 UTC 2023
PRIMARY
CAS
54-62-6
Created by admin on Fri Dec 15 15:14:42 UTC 2023 , Edited by admin on Fri Dec 15 15:14:42 UTC 2023
PRIMARY
EPA CompTox
DTXSID3022588
Created by admin on Fri Dec 15 15:14:42 UTC 2023 , Edited by admin on Fri Dec 15 15:14:42 UTC 2023
PRIMARY
HSDB
6374
Created by admin on Fri Dec 15 15:14:42 UTC 2023 , Edited by admin on Fri Dec 15 15:14:42 UTC 2023
PRIMARY
DRUG BANK
DB08878
Created by admin on Fri Dec 15 15:14:42 UTC 2023 , Edited by admin on Fri Dec 15 15:14:42 UTC 2023
PRIMARY
PUBCHEM
169371
Created by admin on Fri Dec 15 15:14:42 UTC 2023 , Edited by admin on Fri Dec 15 15:14:42 UTC 2023
PRIMARY
SMS_ID
100000085176
Created by admin on Fri Dec 15 15:14:42 UTC 2023 , Edited by admin on Fri Dec 15 15:14:42 UTC 2023
PRIMARY
MESH
D000630
Created by admin on Fri Dec 15 15:14:42 UTC 2023 , Edited by admin on Fri Dec 15 15:14:42 UTC 2023
PRIMARY
EVMPD
SUB00464MIG
Created by admin on Fri Dec 15 15:14:42 UTC 2023 , Edited by admin on Fri Dec 15 15:14:42 UTC 2023
PRIMARY
Related Record Type Details
Structure of AMINOPTERIN SODIUM
SALT/SOLVATE -> PARENT
Related Record Type Details
Structure of METHOTREXATE
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Related Record Type Details
Structure of AMINOPTERIN
ACTIVE MOIETY
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