THIOCTATE TROMETAMOL

Possibly Marketed Outside US

Details

Stereochemistry	RACEMIC
Molecular Formula	C8H14O2S2.C4H11NO3
Molecular Weight	327.461
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

SMILES

NC(CO)(CO)CO.OC(=O)CCCCC1CCSS1

InChI

InChIKey=CCTREOMTIFSZAU-UHFFFAOYSA-N

InChI=1S/C8H14O2S2.C4H11NO3/c9-8(10)4-2-1-3-7-5-6-11-12-7;5-4(1-6,2-7)3-8/h7H,1-6H2,(H,9,10);6-8H,1-3,5H2

HIDE SMILES / InChI

Molecular Formula	C8H14O2S2
Molecular Weight	206.326
Charge	0
Count	MOL RATIO 1 MOL RATIO (average)

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Molecular Formula	C4H11NO3
Molecular Weight	121.135
Charge	0
Count	MOL RATIO 1 MOL RATIO (average)

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description

Trometamol is an organic amine proton acceptor. It is used in the synthesis of surface-active agents and pharmaceuticals; as an emulsifying agent for cosmetic creams and lotions, mineral oil and paraffin wax emulsions, as a biological buffer, and used as an alkalizer.

Approval Year

Conditions

Conditions

Condition	Modality	Targets	Highest Phase	Product
Acidosis 1	Primary		Approved 8,583	Unknown

C_max

Value	Dose	Analyte	Population
71.78 ng/mL	50 mg single, oral	THIOCTIC ACID, ( )- plasma	Homo sapiens
42.74 ng/mL	50 mg single, oral	THIOCTIC ACID, (-)- plasma	Homo sapiens
302.98 ng/mL	100 mg single, oral	THIOCTIC ACID, ( )- plasma	Homo sapiens
182.23 ng/mL	100 mg single, oral	THIOCTIC ACID, (-)- plasma	Homo sapiens
429.28 ng/mL	200 mg single, oral	THIOCTIC ACID, ( )- plasma	Homo sapiens
231.27 ng/mL	200 mg single, oral	THIOCTIC ACID, (-)- plasma	Homo sapiens
473.74 ng/mL	300 mg single, oral	THIOCTIC ACID, ( )- plasma	Homo sapiens
235.08 ng/mL	300 mg single, oral	THIOCTIC ACID, (-)- plasma	Homo sapiens
1135.1 ng/mL	600 mg single, oral	THIOCTIC ACID, ( )- plasma	Homo sapiens
591.33 ng/mL	600 mg single, oral	THIOCTIC ACID, (-)- plasma	Homo sapiens
2654 ng/mL	600 mg single, oral	THIOCTIC ACID, ( )- plasma	Homo sapiens
1735 ng/mL	600 mg single, oral	THIOCTIC ACID, ( )- plasma	Homo sapiens
1415 ng/mL	600 mg single, oral	THIOCTIC ACID, (-)- plasma	Homo sapiens
1003 ng/mL	600 mg single, oral	THIOCTIC ACID, (-)- plasma	Homo sapiens
14.8 nmol/mL	600 mg 1 times / day multiple, oral	THIOCTIC ACID plasma	Homo sapiens
14.4 nmol/mL	600 mg 1 times / day multiple, oral	THIOCTIC ACID plasma	Homo sapiens
19.1 nmol/mL	600 mg single, oral	THIOCTIC ACID plasma	Homo sapiens
17.4 nmol/mL	600 mg single, oral	THIOCTIC ACID plasma	Homo sapiens
19.8 nmol/mL	600 mg 1 times / day multiple, oral	THIOCTIC ACID plasma	Homo sapiens
21.1 nmol/mL	600 mg 1 times / day multiple, oral	THIOCTIC ACID plasma	Homo sapiens

AUC

Value	Dose	Analyte	Population
110.23 ng × h/mL	50 mg single, oral	THIOCTIC ACID, ( )- plasma	Homo sapiens
65.51 ng × h/mL	50 mg single, oral	THIOCTIC ACID, (-)- plasma	Homo sapiens
261.73 ng × h/mL	100 mg single, oral	THIOCTIC ACID, ( )- plasma	Homo sapiens
147.89 ng × h/mL	100 mg single, oral	THIOCTIC ACID, (-)- plasma	Homo sapiens
506.77 ng × h/mL	200 mg single, oral	THIOCTIC ACID, ( )- plasma	Homo sapiens
282.67 ng × h/mL	200 mg single, oral	THIOCTIC ACID, (-)- plasma	Homo sapiens
752.76 ng × h/mL	300 mg single, oral	THIOCTIC ACID, ( )- plasma	Homo sapiens
393.69 ng × h/mL	300 mg single, oral	THIOCTIC ACID, (-)- plasma	Homo sapiens
1814.81 ng × h/mL	600 mg single, oral	THIOCTIC ACID, ( )- plasma	Homo sapiens
929.34 ng × h/mL	600 mg single, oral	THIOCTIC ACID, (-)- plasma	Homo sapiens
2518 ng × h/mL	600 mg single, oral	THIOCTIC ACID, ( )- plasma	Homo sapiens
1926 ng × h/mL	600 mg single, oral	THIOCTIC ACID, ( )- plasma	Homo sapiens
1361 ng × h/mL	600 mg single, oral	THIOCTIC ACID, (-)- plasma	Homo sapiens
1134 ng × h/mL	600 mg single, oral	THIOCTIC ACID, (-)- plasma	Homo sapiens
900.9 μM × min	600 mg 1 times / day multiple, oral	THIOCTIC ACID plasma	Homo sapiens
852.4 μM × min	600 mg 1 times / day multiple, oral	THIOCTIC ACID plasma	Homo sapiens
1061.7 μM × min	600 mg single, oral	THIOCTIC ACID plasma	Homo sapiens
910.1 μM × min	600 mg single, oral	THIOCTIC ACID plasma	Homo sapiens
894.4 μM × min	600 mg 1 times / day multiple, oral	THIOCTIC ACID plasma	Homo sapiens
998.7 μM × min	600 mg 1 times / day multiple, oral	THIOCTIC ACID plasma	Homo sapiens

T_1/2

Value	Dose	Analyte	Population
0.5 h	50 mg single, oral	THIOCTIC ACID, ( )- plasma	Homo sapiens
0.56 h	50 mg single, oral	THIOCTIC ACID, (-)- plasma	Homo sapiens
0.5 h	100 mg single, oral	THIOCTIC ACID, ( )- plasma	Homo sapiens
0.47 h	100 mg single, oral	THIOCTIC ACID, (-)- plasma	Homo sapiens
0.67 h	200 mg single, oral	THIOCTIC ACID, ( )- plasma	Homo sapiens
0.69 h	200 mg single, oral	THIOCTIC ACID, (-)- plasma	Homo sapiens
0.58 h	300 mg single, oral	THIOCTIC ACID, ( )- plasma	Homo sapiens
0.6 h	300 mg single, oral	THIOCTIC ACID, (-)- plasma	Homo sapiens
0.6 h	600 mg single, oral	THIOCTIC ACID, ( )- plasma	Homo sapiens
0.64 h	600 mg single, oral	THIOCTIC ACID, (-)- plasma	Homo sapiens
21.1 min	600 mg 1 times / day multiple, oral	THIOCTIC ACID plasma	Homo sapiens
21.6 min	600 mg 1 times / day multiple, oral	THIOCTIC ACID plasma	Homo sapiens
21.1 min	600 mg single, oral	THIOCTIC ACID plasma	Homo sapiens
23.1 min	600 mg single, oral	THIOCTIC ACID plasma	Homo sapiens
32.2 min	600 mg 1 times / day multiple, oral	THIOCTIC ACID plasma	Homo sapiens
30.1 min	600 mg 1 times / day multiple, oral	THIOCTIC ACID plasma	Homo sapiens

PubMed

Title	Date	PubMed
No data available in table

Patents

Sample Use Guides

In Vivo Use Guide

Unknown

Route of Administration: Unknown

In Vitro Use Guide

Unknown

Substance Class	Chemical
Record UNII	V8276EBZ06
Record Status	`Validated (UNII)`
Record Version

Show entries

Name

Type

Language

THIOCTATE TROMETAMOL

Common Name

English

1,2-DITHIOLANE-3-VALERIC ACID, COMPD. WITH 2-AMINO-2-(HYDROXYMETHYL)-1,3-PROPANEDIOL (1:1)

Preferred Name

English

1,2-DITHIOLANE-3-PENTANOIC ACID, COMPD. WITH 2-AMINO-2-(HYDROXYMETHYL)-1,3-PROPANEDIOL (1:1)

Systematic Name

English

Thioctate trometamol [WHO-DD]

Common Name

English

1,3-PROPANEDIOL, 2-AMINO-2-(HYDROXYMETHYL)-, 1,2-DITHIOLANE-3-PENTANOATE (SALT)

Common Name

English

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Code System

Code

Type

Description

ECHA (EC/EINECS)

238-329-9

PRIMARY

EVMPD

SUB15536MIG

PRIMARY

EPA CompTox

DTXSID70931958

PRIMARY

SMS_ID

100000130745

PRIMARY

PUBCHEM

3084194

PRIMARY

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SMILES

InChI

Approval Year

Conditions

Cmax

AUC

T1/2

PubMed

Patents

Sample Use Guides

C_max

T_1/2