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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H26N6O6
Molecular Weight 482.4891
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of N-2-[(Dimethylamino)methylene]amino Pemetrexed

SMILES

CN(C)\C=N\C1=NC(=O)C2=C(NC=C2CCC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)N1

InChI

InChIKey=WTQOMFBCQAJBJV-YEEYNWEUSA-N
InChI=1S/C23H26N6O6/c1-29(2)12-25-23-27-19-18(21(33)28-23)15(11-24-19)8-5-13-3-6-14(7-4-13)20(32)26-16(22(34)35)9-10-17(30)31/h3-4,6-7,11-12,16H,5,8-10H2,1-2H3,(H,26,32)(H,30,31)(H,34,35)(H2,24,27,28,33)/b25-12+/t16-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
N-2-[(Dimethylamino)methylene]amino Pemetrexed
Systematic Name English
N-[4-[2-[2-[[(Dimethylamino)methylene]amino]-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]ethyl]benzoyl]-L-glutamic acid
Systematic Name English
Pemetrexed N,N-dimethylformamidine
Common Name English
L-Glutamic acid, N-[4-[2-[2-[[(dimethylamino)methylene]amino]-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]ethyl]benzoyl]-
Systematic Name English
Code System Code Type Description
FDA UNII
Y7UMM53UW5
Created by admin on Sat Dec 16 19:52:16 GMT 2023 , Edited by admin on Sat Dec 16 19:52:16 GMT 2023
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CAS
1265908-58-4
Created by admin on Sat Dec 16 19:52:16 GMT 2023 , Edited by admin on Sat Dec 16 19:52:16 GMT 2023
PRIMARY