CGP-12553 ANHYDROUS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C19H25N3O3S
Molecular Weight	375.485
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2N=CN3C[C@@]4([H])[C@@H]5CC[C@@H](C=C5)[C@@]4([H])C3)C(O)=O

InChI

InChIKey=MNYPHCMYWFGDSG-NKDCPUFZSA-N

InChI=1S/C19H25N3O3S/c1-19(2)15(18(24)25)22-16(23)14(17(22)26-19)20-9-21-7-12-10-3-4-11(6-5-10)13(12)8-21/h3-4,9-15,17H,5-8H2,1-2H3,(H,24,25)/b20-9+/t10-,11+,12-,13+,14-,15+,17-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C19H25N3O3S
Molecular Weight	375.485
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:32:06 GMT 2023` Edited by `admin` on `Sat Dec 16 14:32:06 GMT 2023`
Record UNII	DTP4Z81P51
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CGP-12553 ANHYDROUS

Code

English

4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 6-((((3AR,4S,7R,7AS)-1,3,3A,4,7,7A-HEXAHYDRO-4,7-ETHANO-2H-ISOINDOL-2-YL)METHYLENE)AMINO)-3,3-DIMETHYL-7-OXO-, (2S,5R,6R)-

Systematic Name

English

4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 6-(((1,3,3A,4,7,7A-HEXAHYDRO-4,7-ETHANO-2H-ISOINDOL-2-YL)METHYLENE)AMINO)-3,3-DIMETHYL-7-OXO-, (3AR-(2(2S*,5R*,6R*),3A.ALPHA.,4.ALPHA.,7.ALPHA.,7A.ALPHA.))-

Systematic Name

English

Code System Code Type Description

FDA UNII

DTP4Z81P51

Created by admin on Sat Dec 16 14:32:06 GMT 2023 , Edited by admin on Sat Dec 16 14:32:06 GMT 2023

PRIMARY

PUBCHEM

133082900

Created by admin on Sat Dec 16 14:32:06 GMT 2023 , Edited by admin on Sat Dec 16 14:32:06 GMT 2023

PRIMARY

CAS

70144-16-0

Created by admin on Sat Dec 16 14:32:06 GMT 2023 , Edited by admin on Sat Dec 16 14:32:06 GMT 2023

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