Fidrisertib Succinate

Details

Stereochemistry	ABSOLUTE
Molecular Formula	2C31H42N6O4.3C4H6O4
Molecular Weight	1479.6701
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)CCC(O)=O.OC(=O)CCC(O)=O.OC(=O)CCC(O)=O.CCOC1(CCN(CC1)C(C)C)C2=CN=C(C=C2)C3=CN4N=CC=C(N5CCN(CC5)C(=O)O[C@@H]6CCOC6)C4=C3.CCOC7(CCN(CC7)C(C)C)C8=CN=C(C=C8)C9=CN%10N=CC=C(N%11CCN(CC%11)C(=O)O[C@@H]%12CCOC%12)C%10=C9

InChI

InChIKey=WUHJTXWYFLNEIJ-NPNRTHNGSA-N

InChI=1S/2C31H42N6O4.3C4H6O4/c2*1-4-40-31(9-12-34(13-10-31)23(2)3)25-5-6-27(32-20-25)24-19-29-28(7-11-33-37(29)21-24)35-14-16-36(17-15-35)30(38)41-26-8-18-39-22-26;3*5-3(6)1-2-4(7)8/h2*5-7,11,19-21,23,26H,4,8-10,12-18,22H2,1-3H3;3*1-2H2,(H,5,6)(H,7,8)/t2*26-;;;/m11.../s1

HIDE SMILES / InChI

Molecular Formula	C31H42N6O4
Molecular Weight	562.703
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	C4H6O4
Molecular Weight	118.088
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:17:06 GMT 2023` Edited by `admin` on `Sat Dec 16 14:17:06 GMT 2023`
Record UNII	WU1JNY62EH
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Fidrisertib Succinate

Official Name

English

1-PIPERAZINECARBOXYLIC ACID, 4-(6-(5-(4-ETHOXY-1-(1-METHYLETHYL)-4-PIPERIDINYL)-2-PYRIDINYL)PYRROLO(1,2-B)PYRIDAZIN-4-YL)-, (3R)-TETRAHYDRO-3-FURANYL ESTER, SESQUISUCCINATE

Systematic Name

English

FIDRISERTIB SUCCINATE [USAN]

Common Name

English

(R)-Tetrahydrofuran-3-yl 4-{6-[5-(4-ethoxy-1-isopropylpiperidin-4-yl)pyridin-2-yl]pyrrolo[1,2-b]pyridazin-4-yl}piperazine-1-carboxylate sesquisuccinate

Systematic Name

English

BLU-782 SESQUISUCCINATE

Code

English

Butanedioic acid, compd. with (3R)-tetrahydro-3-furanyl 4-[6-[5-[4-ethoxy-1-(1-methylethyl)-4-piperidinyl]-2-pyridinyl]pyrrolo[1,2-b]pyridazin-4-yl]-1-piperazinecarboxylate (3:2)

Systematic Name

English

Classification Tree Code System Code

FDA ORPHAN DRUG

698319