JDTIC DIHYDROCHLORIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H39N3O3.2ClH
Molecular Weight	538.549
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.Cl.CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)C2=CC(O)=CC=C2)NC(=O)[C@H]3CC4=CC=C(O)C=C4CN3

InChI

InChIKey=QJNHURYCTCUGHH-AVWZHOAASA-N

InChI=1S/C28H39N3O3.2ClH/c1-18(2)26(30-27(34)25-13-20-8-9-24(33)12-21(20)15-29-25)17-31-11-10-28(4,19(3)16-31)22-6-5-7-23(32)14-22;;/h5-9,12,14,18-19,25-26,29,32-33H,10-11,13,15-17H2,1-4H3,(H,30,34);2*1H/t19-,25+,26+,28+;;/m0../s1

HIDE SMILES / InChI

Molecular Formula	C28H39N3O3
Molecular Weight	465.6276
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

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 `Sat Dec 16 12:02:12 UTC 2023` Edited by `admin` on `Sat Dec 16 12:02:12 UTC 2023`
Record UNII	VR27M77CW3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

JDTIC DIHYDROCHLORIDE

Common Name

English

JDTIC HYDROCHLORIDE

Common Name

English

(3R)-7-HYDROXY-N-((1S)-1-(((3R,4R)-4-(3-HYDROXYPHENYL)-3,4-DIMETHYL-1-PIPERIDYL)METHYL)-2-METHYL-PROPYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXAMIDE HYDROCHLORIDE

Systematic Name

English

3-ISOQUINOLINECARBOXAMIDE, 1,2,3,4-TETRAHYDRO-7-HYDROXY-N-((1S)-1-(((3R,4R)-4-(3-HYDROXYPHENYL)-3,4-DIMETHYL-1-PIPERIDINYL)METHYL)-2-METHYLPROPYL)-, HYDROCHLORIDE (1:2), (3R)-

Common Name

English

Code System Code Type Description

MANUFACTURER PRODUCT INFORMATION

3-ISOQUINOLINECARBOXAMIDE, 1,2,3,4-TETRAHYDRO-7-HYDROXY-N-((1S)-1-(((3R,4R)-4-(3-HYDROXYPHENYL)-3,4-DIMETHYL-1-PIPERIDINYL)METHYL)-2-METHYLPROPYL)-, HYDROCHLORIDE (1:2), (3R)-