Tacaciclib fumarate

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H36N6O3.C4H4O4
Molecular Weight	644.7174
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)\C=C\C(O)=O.CC(C)[C@H](C(=O)NC1=NNC(=C1)C2CC2)C3=CC(=CC=C3)C4=CN=C(NC(=O)\C=C\CN5CCOCC5)C=C4

InChI

InChIKey=STPQNEVZIQTGDT-XHPAWBOPSA-N

InChI=1S/C30H36N6O3.C4H4O4/c1-20(2)29(30(38)33-27-18-25(34-35-27)21-8-9-21)23-6-3-5-22(17-23)24-10-11-26(31-19-24)32-28(37)7-4-12-36-13-15-39-16-14-36;5-3(6)1-2-4(7)8/h3-7,10-11,17-21,29H,8-9,12-16H2,1-2H3,(H,31,32,37)(H2,33,34,35,38);1-2H,(H,5,6)(H,7,8)/b7-4+;2-1+/t29-;/m0./s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

Tacaciclib fumarate

Common Name

English

(αS)-N-(5-Cyclopropyl-1H-pyrazol-3-yl)-α-(1-methylethyl)-3-[6-[[(2E)-4-(4-morpholinyl)-1-oxo-2-buten-1-yl]amino]-3-pyridinyl]benzeneacetamide fumarate

Systematic Name

English

AUR-102 fumarate

Code

English

Benzeneacetamide, N-(5-cyclopropyl-1H-pyrazol-3-yl)-α-(1-methylethyl)-3-[6-[[(2E)-4-(4-morpholinyl)-1-oxo-2-buten-1-yl]amino]-3-pyridinyl]-, (αS)-, fumarate

Systematic Name

English

AUR102 fumarate

Code

English

Code System Code Type Description

FDA UNII

F6QA2R2TPY

Created by admin on Sat Dec 16 17:31:12 GMT 2023 , Edited by admin on Sat Dec 16 17:31:12 GMT 2023

PRIMARY

CAS

2788876-22-0