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Details

Stereochemistry RACEMIC
Molecular Formula C19H27N3O3
Molecular Weight 345.436
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL N-((1-PENTYL-1H-INDAZOL-3-YL)CARBONYL)-DL-VALINATE

SMILES

CCCCCN1N=C(C(=O)NC(C(C)C)C(=O)OC)C2=CC=CC=C12

InChI

InChIKey=KTTMFFHXDMTTOB-UHFFFAOYSA-N
InChI=1S/C19H27N3O3/c1-5-6-9-12-22-15-11-8-7-10-14(15)17(21-22)18(23)20-16(13(2)3)19(24)25-4/h7-8,10-11,13,16H,5-6,9,12H2,1-4H3,(H,20,23)

HIDE SMILES / InChI

Molecular Formula C19H27N3O3
Molecular Weight 345.436
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:18:25 UTC 2023
Edited
by admin
on Sat Dec 16 10:18:25 UTC 2023
Record UNII
P5PZX56UCW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHYL N-((1-PENTYL-1H-INDAZOL-3-YL)CARBONYL)-DL-VALINATE
Systematic Name English
VALINE, N-((1-PENTYL-1H-INDAZOL-3-YL)CARBONYL)-, METHYL ESTER
Systematic Name English
METHYL 3-METHYL-2-(((1-PENTYL-1H-INDAZOL-3-YL)CARBONYL)AMINO)BUTANOATE
Systematic Name English
AMB, (±)-
Common Name English
Code System Code Type Description
PUBCHEM
119058053
Created by admin on Sat Dec 16 10:18:25 UTC 2023 , Edited by admin on Sat Dec 16 10:18:25 UTC 2023
PRIMARY
FDA UNII
P5PZX56UCW
Created by admin on Sat Dec 16 10:18:25 UTC 2023 , Edited by admin on Sat Dec 16 10:18:25 UTC 2023
PRIMARY
MANUFACTURER PRODUCT INFORMATION
AMB
Created by admin on Sat Dec 16 10:18:25 UTC 2023 , Edited by admin on Sat Dec 16 10:18:25 UTC 2023
PRIMARY Standard InChI: InChI=1S/C19H27N3O3/c1-5-6-9-12-22-15-11-8-7-10-14(15)17(21-22)18(23)20-16(13(2)3)19(24)25-4/h7-8,10-11,13,16H,5-6,9,12H2,1-4H3,(H,20,23); Standard InChI key: KTTMFFHXDMTTOB-UHFFFAOYSA-N; SMILES: CCCCCn1nc(c2c1cccc2)C(=O)NC(C(=O)OC)C(C)C; Tags: cannabinoid
CAS
1863066-06-1
Created by admin on Sat Dec 16 10:18:25 UTC 2023 , Edited by admin on Sat Dec 16 10:18:25 UTC 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
Related Record Type Details
ACTIVE MOIETY