Crozbaciclib fumarate

Details

Stereochemistry	ACHIRAL
Molecular Formula	C28H30F2N6.C4H4O4
Molecular Weight	604.647
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)\C=C\C(O)=O.CN1CCC(CC1)C2=CC=C(NC3=NC=C(F)C(=N3)C4=CC5=C(N=C(C)C56CCCC6)C(F)=C4)N=C2

InChI

InChIKey=DJHWABVQPGVLAK-WLHGVMLRSA-N

InChI=1S/C28H30F2N6.C4H4O4/c1-17-28(9-3-4-10-28)21-13-20(14-22(29)26(21)33-17)25-23(30)16-32-27(35-25)34-24-6-5-19(15-31-24)18-7-11-36(2)12-8-18;5-3(6)1-2-4(7)8/h5-6,13-16,18H,3-4,7-12H2,1-2H3,(H,31,32,34,35);1-2H,(H,5,6)(H,7,8)/b;2-1+

HIDE SMILES / InChI

Molecular Formula	C28H30F2N6
Molecular Weight	488.5748
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C4H4O4
Molecular Weight	116.0722
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 05:52:39 GMT 2025` Edited by `admin` on `Wed Apr 02 05:52:39 GMT 2025`
Record UNII	EA0UN3NLN3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Crozbaciclib fumarate

Preferred Name

English

Classification Tree Code System Code

FDA ORPHAN DRUG

760620

Created by admin on Wed Apr 02 05:52:39 GMT 2025 , Edited by admin on Wed Apr 02 05:52:39 GMT 2025

Code System Code Type Description

FDA UNII

EA0UN3NLN3

Created by admin on Wed Apr 02 05:52:39 GMT 2025 , Edited by admin on Wed Apr 02 05:52:39 GMT 2025

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PUBCHEM

168265376

Created by admin on Wed Apr 02 05:52:39 GMT 2025 , Edited by admin on Wed Apr 02 05:52:39 GMT 2025

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SMS_ID

300000027814

Created by admin on Wed Apr 02 05:52:39 GMT 2025 , Edited by admin on Wed Apr 02 05:52:39 GMT 2025

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ACTIVE MOIETY

Amount: