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

Details

Stereochemistry ABSOLUTE
Molecular Formula C20H31N.C2H4O2
Molecular Weight 345.5188
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DEHYDROABIETYLAMINE ACETATE

SMILES

CC(O)=O.[H][C@@]12CCC3=CC(=CC=C3[C@@]1(C)CCC[C@@]2(C)CN)C(C)C

InChI

InChIKey=BFAQRUGPWJVQDA-WFBUOHSLSA-N
InChI=1S/C20H31N.C2H4O2/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4;1-2(3)4/h6,8,12,14,18H,5,7,9-11,13,21H2,1-4H3;1H3,(H,3,4)/t18-,19-,20+;/m0./s1

HIDE SMILES / InChI

Molecular Formula C20H31N
Molecular Weight 285.4668
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula C2H4O2
Molecular Weight 60.052
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 08:28:02 GMT 2023
Edited
by admin
on Sat Dec 16 08:28:02 GMT 2023
Record UNII
6T3HO6F2VP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DEHYDROABIETYLAMINE ACETATE
Common Name English
1-PHENANTHRENEMETHANAMINE, 1,2,3,4,4A,9,10,10A-OCTAHYDRO-1,4A-DIMETHYL-7-(1-METHYLETHYL)-, (1R,4AS,10AR)-, ACETATE (1:1)
Systematic Name English
NSC-30331
Code English
NSC-12147
Code English
1-PHENANTHRENEMETHANAMINE, 1,2,3,4,4A,9,10,10A-OCTAHYDRO-1,4A-DIMETHYL-7-(1-METHYLETHYL)-, (1R-(1.ALPHA.,4A.BETA.,10A.ALPHA.))-, ACETATE
Systematic Name English
ROSIN AMINE D ACETATE
Brand Name English
(+)-DEHYDROABIETHYLAMINE ACETATE
Systematic Name English
PODOCARPA-8,11,13-TRIEN-15-AMINE, 13-ISOPROPYL-, ACETATE
Systematic Name English
J220.104F
Code English
DELRAD
Common Name English
Classification Tree Code System Code
EPA PESTICIDE CODE 4201
Created by admin on Sat Dec 16 08:28:02 GMT 2023 , Edited by admin on Sat Dec 16 08:28:02 GMT 2023
Code System Code Type Description
NSC
12147
Created by admin on Sat Dec 16 08:28:02 GMT 2023 , Edited by admin on Sat Dec 16 08:28:02 GMT 2023
PRIMARY
PUBCHEM
62418
Created by admin on Sat Dec 16 08:28:02 GMT 2023 , Edited by admin on Sat Dec 16 08:28:02 GMT 2023
PRIMARY
ECHA (EC/EINECS)
217-973-4
Created by admin on Sat Dec 16 08:28:02 GMT 2023 , Edited by admin on Sat Dec 16 08:28:02 GMT 2023
PRIMARY
FDA UNII
6T3HO6F2VP
Created by admin on Sat Dec 16 08:28:02 GMT 2023 , Edited by admin on Sat Dec 16 08:28:02 GMT 2023
PRIMARY
EPA CompTox
DTXSID1047102
Created by admin on Sat Dec 16 08:28:02 GMT 2023 , Edited by admin on Sat Dec 16 08:28:02 GMT 2023
PRIMARY
CAS
2026-24-6
Created by admin on Sat Dec 16 08:28:02 GMT 2023 , Edited by admin on Sat Dec 16 08:28:02 GMT 2023
PRIMARY
NSC
30331
Created by admin on Sat Dec 16 08:28:02 GMT 2023 , Edited by admin on Sat Dec 16 08:28:02 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE