ASP-4000

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C12H17N3O2.ClH
Molecular Weight	271.743
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.O[C@@H]1C[C@@H]2C[C@H]1N[C@@H]2C(=O)N3CCC[C@H]3C#N

InChI

InChIKey=HBURXUXZLKNVTI-QSWPLQKNSA-N

InChI=1S/C12H17N3O2.ClH/c13-6-8-2-1-3-15(8)12(17)11-7-4-9(14-11)10(16)5-7;/h7-11,14,16H,1-5H2;1H/t7-,8-,9+,10+,11-;/m0./s1

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	C12H17N3O2
Molecular Weight	235.2823
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:04:49 GMT 2023` Edited by `admin` on `Sat Dec 16 10:04:49 GMT 2023`
Record UNII	7393JFE67B
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ASP-4000

Common Name

English

2-PYRROLIDINECARBONITRILE, 1-(((1R,3S,4S,6R)-6-HYDROXY-2-AZABICYCLO(2.2.1)HEPT-3-YL)CARBONYL)-, MONOHYDROCHLORIDE, (2S)-

Systematic Name

English

2-PYRROLIDINECARBONITRILE, 1-(((1R,3S,4S,6R)-6-HYDROXY-2-AZABICYCLO(2.2.1)HEPT-3-YL)CARBONYL)-, HYDROCHLORIDE (1:1), (2S)-

Systematic Name

English

(2S)-1-(((1R,3S,4S,6R)-6-HYDROXY-2-AZABICYCLO(2.2.1)HEPT-3-YL)CARBONYL)-2-PYRROLIDINECARBONITRILE HYDROCHLORIDE

Systematic Name

English

Code System Code Type Description

CAS

851389-35-0

Created by admin on Sat Dec 16 10:04:49 GMT 2023 , Edited by admin on Sat Dec 16 10:04:49 GMT 2023

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FDA UNII

7393JFE67B

Created by admin on Sat Dec 16 10:04:49 GMT 2023 , Edited by admin on Sat Dec 16 10:04:49 GMT 2023

PRIMARY

SMS_ID

300000042437

Created by admin on Sat Dec 16 10:04:49 GMT 2023 , Edited by admin on Sat Dec 16 10:04:49 GMT 2023

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PUBCHEM

24905398

Created by admin on Sat Dec 16 10:04:49 GMT 2023 , Edited by admin on Sat Dec 16 10:04:49 GMT 2023

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