IDETREXED

Investigational

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C32H33N5O10
Molecular Weight	647.6319
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OCC1=NC2=C(C=C3[C@H](CCC3=C2)N(CC#C)C4=CC=C(C=C4)C(=O)N[C@@H](CCC(=O)N[C@H](CCC(O)=O)C(O)=O)C(O)=O)C(=O)N1

InChI

InChIKey=NVHRBQOZEMFKLD-CUYJMHBOSA-N

InChI=1S/C32H33N5O10/c1-2-13-37(25-10-5-18-14-24-21(15-20(18)25)30(43)36-26(16-38)33-24)19-6-3-17(4-7-19)29(42)35-23(32(46)47)8-11-27(39)34-22(31(44)45)9-12-28(40)41/h1,3-4,6-7,14-15,22-23,25,38H,5,8-13,16H2,(H,34,39)(H,35,42)(H,40,41)(H,44,45)(H,46,47)(H,33,36,43)/t22-,23+,25+/m1/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

IDETREXED

Official Name

English

6S-BGC-945

Preferred Name

English

idetrexed [INN]

Common Name

English

D-GLUTAMIC ACID, N-(4-(2-PROPYNYL((6S)-4,6,7,8-TETRAHYDRO-2-(HYDROXYMETHYL)-4-OXO-1H-CYCLOPENTA(G)QUINAZOLIN-6-YL)AMINO)BENZOYL)-L-.GAMMA.-GLUTAMYL-

Systematic Name

English

N-(4-(2-PROPYN-1-YL((6S)-4,6,7,8-TETRAHYDRO-2-(HYDROXYMETHYL)-4-OXO-3H-CYCLOPENTA(G)QUINAZOLIN-6-YL)AMINO)BENZOYL)-L-.GAMMA.-GLUTAMYL-D-GLUTAMIC ACID

Systematic Name

English

CB-300945 (S)

Code

English

ONX-0801

Code

English

ONX-801

Code

English

BGC-945

Code

English

Idetrexed [WHO-DD]

Common Name

English

Code System Code Type Description

CAS

501332-69-0