1,2,3-PROPANETRIOL, 2-(4-AMINOBENZOATE)

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C10H13NO4
Molecular Weight	211.2145
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1,2,3-PROPANETRIOL, 2-(4-AMINOBENZOATE)

Structure Search

SMILES

NC1=CC=C(C=C1)C(=O)OC(CO)CO

InChI

InChIKey=DNWWTEIXNIQRQP-UHFFFAOYSA-N

InChI=1S/C10H13NO4/c11-8-3-1-7(2-4-8)10(14)15-9(5-12)6-13/h1-4,9,12-13H,5-6,11H2

HIDE SMILES / InChI

Molecular Formula	C10H13NO4
Molecular Weight	211.2145
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 `Mon Mar 31 18:57:16 GMT 2025` Edited by `admin` on `Mon Mar 31 18:57:16 GMT 2025`
Record UNII	3S4077U0T0
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1,2,3-PROPANETRIOL, 2-(4-AMINOBENZOATE)

Preferred Name

English

Code System Code Type Description

FDA UNII

3S4077U0T0

Created by admin on Mon Mar 31 18:57:16 GMT 2025 , Edited by admin on Mon Mar 31 18:57:16 GMT 2025

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CAS

958800-97-0

Created by admin on Mon Mar 31 18:57:16 GMT 2025 , Edited by admin on Mon Mar 31 18:57:16 GMT 2025

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DAILYMED

3S4077U0T0

Created by admin on Mon Mar 31 18:57:16 GMT 2025 , Edited by admin on Mon Mar 31 18:57:16 GMT 2025

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EPA CompTox

DTXSID90891469

Created by admin on Mon Mar 31 18:57:16 GMT 2025 , Edited by admin on Mon Mar 31 18:57:16 GMT 2025

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PUBCHEM

122420

Created by admin on Mon Mar 31 18:57:16 GMT 2025 , Edited by admin on Mon Mar 31 18:57:16 GMT 2025

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RXCUI

2362184

Created by admin on Mon Mar 31 18:57:16 GMT 2025 , Edited by admin on Mon Mar 31 18:57:16 GMT 2025

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