TETRAHYDROABIETYLAMINE ACETATE

Details

Stereochemistry	MIXED
Molecular Formula	C20H37N.C2H4O2
Molecular Weight	351.5664
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of TETRAHYDROABIETYLAMINE ACETATE

Structure Search

SMILES

CC(O)=O.[H][C@]12CCC(CC1CC[C@@]3([H])[C@](C)(CN)CCC[C@]23C)C(C)C

InChI

InChIKey=MLUVBNOZUQILRU-HMYWYCPDSA-N

InChI=1S/C20H37N.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/h14-18H,5-13,21H2,1-4H3;1H3,(H,3,4)/t15?,16?,17-,18-,19-,20+;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C20H37N
Molecular Weight	291.5145
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	4 / 6
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

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:58:02 GMT 2023` Edited by `admin` on `Sat Dec 16 10:58:02 GMT 2023`
Record UNII	0N41W27P7T
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TETRAHYDROABIETYLAMINE ACETATE

Common Name

English

1-PHENANTHRENEMETHANAMINE, TETRADECAHYDRO-1,4A-DIMETHYL-7-(1-METHYLETHYL)-, (1R-(1.ALPHA.,4A.BETA.,4B.ALPHA.,10A.ALPHA.))-, ACETATE

Systematic Name

English

1-PHENANTHRENEMETHANAMINE, TETRADECAHYDRO-1,4A-DIMETHYL-7-(1-METHYLETHYL)-, ACETATE (1:1)

Systematic Name

English

Code System Code Type Description

FDA UNII

0N41W27P7T

Created by admin on Sat Dec 16 10:58:02 GMT 2023 , Edited by admin on Sat Dec 16 10:58:02 GMT 2023

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EPA CompTox

DTXSID70896856

Created by admin on Sat Dec 16 10:58:02 GMT 2023 , Edited by admin on Sat Dec 16 10:58:02 GMT 2023

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PUBCHEM

86278193

Created by admin on Sat Dec 16 10:58:02 GMT 2023 , Edited by admin on Sat Dec 16 10:58:02 GMT 2023

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CAS

53494-58-9

Created by admin on Sat Dec 16 10:58:02 GMT 2023 , Edited by admin on Sat Dec 16 10:58:02 GMT 2023

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