FOLIC ACID DIHYDRATE

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NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C19H19N7O6.2H2O
Molecular Weight	477.428
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of FOLIC ACID DIHYDRATE

Structure Search

SMILES

O.O.NC1=NC2=C(N=C(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)C=N2)C(=O)N1

InChI

InChIKey=ODYNNYOEHBJUQP-LTCKWSDVSA-N

InChI=1S/C19H19N7O6.2H2O/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28;;/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30);2*1H2/t12-;;/m0../s1

HIDE SMILES / InChI

Molecular Formula	H2O
Molecular Weight	18.0153
Charge	0
Count

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

Molecular Formula	C19H19N7O6
Molecular Weight	441.3975
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:36:56 UTC 2023` Edited by `admin` on `Sat Dec 16 10:36:56 UTC 2023`
Record UNII	0S1T5C0JZL
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

FOLIC ACID DIHYDRATE

Common Name

English

L-GLUTAMIC ACID, N-(4-(((2-AMINO-1,4-DIHYDRO-4-OXO-6-PTERIDINYL)METHYL)AMINO)BENZOYL)-, DIHYDRATE

Systematic Name

English

L-GLUTAMIC ACID, N-(4-(((2-AMINO-3,4-DIHYDRO-4-OXO-6-PTERIDINYL)METHYL)AMINO)BENZOYL)-, HYDRATE (1:2)

Systematic Name

English

Code System Code Type Description

PUBCHEM

135564683

Created by admin on Sat Dec 16 10:36:57 UTC 2023 , Edited by admin on Sat Dec 16 10:36:57 UTC 2023

PRIMARY

SMS_ID

100000181483

Created by admin on Sat Dec 16 10:36:57 UTC 2023 , Edited by admin on Sat Dec 16 10:36:57 UTC 2023

PRIMARY

EPA CompTox

DTXSID20273931

Created by admin on Sat Dec 16 10:36:57 UTC 2023 , Edited by admin on Sat Dec 16 10:36:57 UTC 2023

PRIMARY

CAS

75708-92-8

Created by admin on Sat Dec 16 10:36:57 UTC 2023 , Edited by admin on Sat Dec 16 10:36:57 UTC 2023

PRIMARY

FDA UNII

0S1T5C0JZL

Created by admin on Sat Dec 16 10:36:57 UTC 2023 , Edited by admin on Sat Dec 16 10:36:57 UTC 2023

PRIMARY

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