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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H32N6O4.C4H6O5
Molecular Weight 578.6147
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SPH-3127 MALATE

SMILES

O[C@@H](CC(O)=O)C(O)=O.COC(=O)NCCCN1N=C([C@@H](C)N(C2CC2)C(=O)[C@H]3CNCCO3)C4=CC=C(C)N=C14

InChI

InChIKey=QSZOEHQUVFGHAD-NHTZGOACSA-N
InChI=1S/C22H32N6O4.C4H6O5/c1-14-5-8-17-19(26-27(20(17)25-14)11-4-9-24-22(30)31-3)15(2)28(16-6-7-16)21(29)18-13-23-10-12-32-18;5-2(4(8)9)1-3(6)7/h5,8,15-16,18,23H,4,6-7,9-13H2,1-3H3,(H,24,30);2,5H,1H2,(H,6,7)(H,8,9)/t15-,18-;2-/m10/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
SPH-3127 MALATE
Code English
SPH-3127 S-MALATE
Code English
BUTANEDIOIC ACID, 2-HYDROXY-, (2S)-, COMPD. WITH METHYL N-(3-(3-((1R)-1-(CYCLOPROPYL((2R)-2-MORPHOLINYLCARBONYL)AMINO)ETHYL)-6-METHYL-1H-PYRAZOLO(3,4-B)PYRIDIN-1-YL)PROPYL)CARBAMATE (1:1)
Systematic Name English
SPH3127 MALATE
Code English
Code System Code Type Description
CAS
2102663-60-3
Created by admin on Sat Dec 16 17:26:39 GMT 2023 , Edited by admin on Sat Dec 16 17:26:39 GMT 2023
PRIMARY
FDA UNII
BV6NH3E197
Created by admin on Sat Dec 16 17:26:39 GMT 2023 , Edited by admin on Sat Dec 16 17:26:39 GMT 2023
PRIMARY
PUBCHEM
154926047
Created by admin on Sat Dec 16 17:26:39 GMT 2023 , Edited by admin on Sat Dec 16 17:26:39 GMT 2023
PRIMARY