JAB-3312

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H22ClN7S
Molecular Weight	439.964
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

N[C@@H]1C2=C(CC13CCN(CC3)C4=NC=C(SC5=C(Cl)C(N)=NC=C5)N=C4)N=CC=C2

InChI

InChIKey=GKGIGIUNYOFYHZ-LJQANCHMSA-N

InChI=1S/C21H22ClN7S/c22-18-15(3-7-26-20(18)24)30-17-12-27-16(11-28-17)29-8-4-21(5-9-29)10-14-13(19(21)23)2-1-6-25-14/h1-3,6-7,11-12,19H,4-5,8-10,23H2,(H2,24,26)/t19-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C21H22ClN7S
Molecular Weight	439.964
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 00:25:08 GMT 2025` Edited by `admin` on `Wed Apr 02 00:25:08 GMT 2025`
Record UNII	T21N67B1V3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

JAB-3312

Code

English

JAB 3312

Preferred Name

English

Spiro[6H-cyclopenta[b]pyridine-6,4?-piperidin]-5-amine, 1?-[5-[(2-amino-3-chloro-4-pyridinyl)thio]-2-pyrazinyl]-5,7-dihydro-, (5S)-

Systematic Name

English

(5S)-1?-[5-[(2-Amino-3-chloro-4-pyridinyl)thio]-2-pyrazinyl]-5,7-dihydrospiro[6H-cyclopenta[b]pyridine-6,4?-piperidin]-5-amine

Systematic Name

English

Classification Tree Code System Code

FDA ORPHAN DRUG

764720