PRALATREXATE, (S)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H23N7O5
Molecular Weight	477.4726
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=OGSBUKJUDHAQEA-HOCLYGCPSA-N

InChI=1S/C23H23N7O5/c1-2-3-14(10-15-11-26-20-18(27-15)19(24)29-23(25)30-20)12-4-6-13(7-5-12)21(33)28-16(22(34)35)8-9-17(31)32/h1,4-7,11,14,16H,3,8-10H2,(H,28,33)(H,31,32)(H,34,35)(H4,24,25,26,29,30)/t14-,16-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C23H23N7O5
Molecular Weight	477.4726
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:37:54 GMT 2023` Edited by `admin` on `Fri Dec 15 16:37:54 GMT 2023`
Record UNII	0892G4T376
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PRALATREXATE, (S)-

Common Name

English

L-GLUTAMIC ACID, N-(4-((1S)-1-((2,4-DIAMINO-6-PTERIDINYL)METHYL)-3-BUTYNYL)BENZOYL)-

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID601031325

Created by admin on Fri Dec 15 16:37:54 GMT 2023 , Edited by admin on Fri Dec 15 16:37:54 GMT 2023

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PUBCHEM

23230419

Created by admin on Fri Dec 15 16:37:54 GMT 2023 , Edited by admin on Fri Dec 15 16:37:54 GMT 2023

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FDA UNII

0892G4T376

Created by admin on Fri Dec 15 16:37:54 GMT 2023 , Edited by admin on Fri Dec 15 16:37:54 GMT 2023

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CAS

1320211-69-5

Created by admin on Fri Dec 15 16:37:54 GMT 2023 , Edited by admin on Fri Dec 15 16:37:54 GMT 2023

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