ENZASTAURIN HYDROCHLORIDE MONOHYDRATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C32H29N5O2.ClH.H2O
Molecular Weight	570.081
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ENZASTAURIN HYDROCHLORIDE MONOHYDRATE

Structure Search

SMILES

O.Cl.CN1C=C(C2=C1C=CC=C2)C3=C(C(=O)NC3=O)C4=CN(C5CCN(CC6=CC=CC=N6)CC5)C7=CC=CC=C47

InChI

InChIKey=NCSOZDYVYDZHMT-UHFFFAOYSA-N

InChI=1S/C32H29N5O2.ClH.H2O/c1-35-19-25(23-9-2-4-11-27(23)35)29-30(32(39)34-31(29)38)26-20-37(28-12-5-3-10-24(26)28)22-13-16-36(17-14-22)18-21-8-6-7-15-33-21;;/h2-12,15,19-20,22H,13-14,16-18H2,1H3,(H,34,38,39);1H;1H2

HIDE SMILES / InChI

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

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

Molecular Formula	H2O
Molecular Weight	18.0153
Charge	0
Count

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

Molecular Formula	C32H29N5O2
Molecular Weight	515.605
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 10:09:42 UTC 2023` Edited by `admin` on `Sat Dec 16 10:09:42 UTC 2023`
Record UNII	7P5KLU0N3Q
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ENZASTAURIN HYDROCHLORIDE MONOHYDRATE

Common Name

English

1H-PYRROLE-2,5-DIONE, 3-(1-METHYL-1H-INDOL-3-YL)-4-(1-(1-(2-PYRIDINYLMETHYL)-4-PIPERIDINYL)-1H-INDOL-3-YL)-, HYDROCHLORIDE, HYDRATE (1:1:1)

Systematic Name

English

1H-PYRROLE-2,5-DIONE, 3-(1-METHYL-1H-INDOL-3-YL)-4-(1-(1-(2-PYRIDINYLMETHYL)-4-PIPERIDINYL)-1H-INDOL-3-YL)-, MONOHYDROCHLORIDE, MONOHYDRATE

Brand Name

English

Code System Code Type Description

FDA UNII

7P5KLU0N3Q

Created by admin on Sat Dec 16 10:09:42 UTC 2023 , Edited by admin on Sat Dec 16 10:09:42 UTC 2023

PRIMARY

CAS

647031-15-0

Created by admin on Sat Dec 16 10:09:42 UTC 2023 , Edited by admin on Sat Dec 16 10:09:42 UTC 2023

PRIMARY

PUBCHEM

86278309

Created by admin on Sat Dec 16 10:09:42 UTC 2023 , Edited by admin on Sat Dec 16 10:09:42 UTC 2023

PRIMARY

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