U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C16H18N2O2
Molecular Weight 270.3263
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CLAVICIPITIC ACID, TRANS-(±)-

SMILES

CC(C)=C[C@H]1N[C@@H](CC2=CNC3=CC=CC1=C23)C(O)=O

InChI

InChIKey=VZMAHZAQMKNJIG-KGLIPLIRSA-N
InChI=1S/C16H18N2O2/c1-9(2)6-13-11-4-3-5-12-15(11)10(8-17-12)7-14(18-13)16(19)20/h3-6,8,13-14,17-18H,7H2,1-2H3,(H,19,20)/t13-,14+/m1/s1

HIDE SMILES / InChI

Molecular Formula C16H18N2O2
Molecular Weight 270.3263
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:43:59 GMT 2023
Edited
by admin
on Sat Dec 16 12:43:59 GMT 2023
Record UNII
374VHV303R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CLAVICIPITIC ACID, TRANS-(±)-
Common Name English
(±)-CLAVICIPITIC ACID I
Common Name English
1H-PYRROLO(4,3,2-EF)(2)BENZAZEPINE-4-CARBOXYLIC ACID, 3,4,5,6-TETRAHYDRO-6-(2-METHYL-1-PROPEN-1-YL)-, (4R,6S)-REL-
Systematic Name English
REL-(4R,6S)-3,4,5,6-TETRAHYDRO-6-(2-METHYL-1-PROPEN-1-YL)-1H-PYRROLO(4,3,2-EF)(2)BENZAZEPINE-4-CARBOXYLIC ACID
Systematic Name English
Code System Code Type Description
FDA UNII
374VHV303R
Created by admin on Sat Dec 16 12:43:59 GMT 2023 , Edited by admin on Sat Dec 16 12:43:59 GMT 2023
PRIMARY
CAS
84986-03-8
Created by admin on Sat Dec 16 12:43:59 GMT 2023 , Edited by admin on Sat Dec 16 12:43:59 GMT 2023
PRIMARY
PUBCHEM
9993281
Created by admin on Sat Dec 16 12:43:59 GMT 2023 , Edited by admin on Sat Dec 16 12:43:59 GMT 2023
PRIMARY