U-104067 HYDROCHLORIDE HEMIHYDRATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	2C24H32N6O.2ClH.H2O
Molecular Weight	932.038
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of U-104067 HYDROCHLORIDE HEMIHYDRATE

Structure Search

SMILES

O.Cl.Cl.C(CN1CCOCC1)N2C3=C(C=CC=C3)C4=C2N=C(N=C4N5CCCC5)N6CCCC6.C(CN7CCOCC7)N8C9=C(C=CC=C9)C%10=C8N=C(N=C%10N%11CCCC%11)N%12CCCC%12

InChI

InChIKey=BHPKTGGRFCHZGZ-UHFFFAOYSA-N

InChI=1S/2C24H32N6O.2ClH.H2O/c2*1-2-8-20-19(7-1)21-22(28-9-3-4-10-28)25-24(29-11-5-6-12-29)26-23(21)30(20)14-13-27-15-17-31-18-16-27;;;/h2*1-2,7-8H,3-6,9-18H2;2*1H;1H2

HIDE SMILES / InChI

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	C24H32N6O
Molecular Weight	420.5505
Charge	0
Count

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

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

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 18:12:38 GMT 2025` Edited by `admin` on `Mon Mar 31 18:12:38 GMT 2025`
Record UNII	NR6PWU9CL5
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

PNU-104067F HYDRATE

Preferred Name

English

U-104067 HYDROCHLORIDE HEMIHYDRATE

Code

English

9H-PYRIMIDO(4,5-B)INDOLE, 9-(2-(4-MORPHOLINYL)ETHYL)-2,4-DI-1-PYRROLIDINYL-, HYDROCHLORIDE, HYDRATE (2:2:1)

Systematic Name

English

9-(2-(4-MORPHOLINYL)ETHYL)-2,4-DI-PYRROLIDIN-1-YL-9H-PYRIMIDO(4,5-B)INDOLE HYDROCHLORIDE HYDRATE(2:1)

Common Name

English

U-104067F HYDRATE

Code

English

Code System Code Type Description

FDA UNII

NR6PWU9CL5

Created by admin on Mon Mar 31 18:12:38 GMT 2025 , Edited by admin on Mon Mar 31 18:12:38 GMT 2025

PRIMARY

CAS

182313-83-3

Created by admin on Mon Mar 31 18:12:38 GMT 2025 , Edited by admin on Mon Mar 31 18:12:38 GMT 2025

PRIMARY

PUBCHEM

129649853

Created by admin on Mon Mar 31 18:12:38 GMT 2025 , Edited by admin on Mon Mar 31 18:12:38 GMT 2025

PRIMARY

Related Record Type Details


					U0Q2ZR5XFT

U-104067 HYDROCHLORIDE

ANHYDROUS->SOLVATE


					59IJ4GV3FC

U-104067

PARENT -> SALT/SOLVATE

Related Record Type Details


					59IJ4GV3FC

U-104067

ACTIVE MOIETY