TROLNITRATE PHOSPHATE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C6H12N4O9.2H3O4P
Molecular Weight	480.1712
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of TROLNITRATE PHOSPHATE

Structure Search

SMILES

OP(O)(O)=O.OP(O)(O)=O.[O-][N+](=O)OCCN(CCO[N+]([O-])=O)CCO[N+]([O-])=O

InChI

InChIKey=UOCLRXFKRLRMKV-UHFFFAOYSA-N

InChI=1S/C6H12N4O9.2H3O4P/c11-8(12)17-4-1-7(2-5-18-9(13)14)3-6-19-10(15)16;2*1-5(2,3)4/h1-6H2;2*(H3,1,2,3,4)

HIDE SMILES / InChI

Molecular Formula	H3O4P
Molecular Weight	97.9952
Charge	0
Count

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

Molecular Formula	C6H12N4O9
Molecular Weight	284.1809
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 `Fri Dec 15 15:05:24 UTC 2023` Edited by `admin` on `Fri Dec 15 15:05:24 UTC 2023`
Record UNII	13330D1K2A
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TROLNITRATE PHOSPHATE

Common Name

English

TROLNITRATE PHOSPHATE [JAN]

Common Name

English

TROLNITRATE PHOSPHATE [MART.]

Common Name

English

Trolnitrate phosphate [WHO-DD]

Common Name

English

2,2',2''-NITRILOTRISETHANOL TRINITRATE (ESTER) PHOSPHATE (1:2) (SALT)

Common Name

English

TRIETHANOLAMINE TRINITRATE BIPHOSPHATE

Common Name

English

METAMINE

Brand Name

English

TROLNITRATE PHOSPHATE [MI]

Common Name

English

Classification Tree Code System Code

CFR

21 CFR 250.102

Created by admin on Fri Dec 15 15:05:24 UTC 2023 , Edited by admin on Fri Dec 15 15:05:24 UTC 2023

Code System Code Type Description

FDA UNII

13330D1K2A

Created by admin on Fri Dec 15 15:05:24 UTC 2023 , Edited by admin on Fri Dec 15 15:05:24 UTC 2023

PRIMARY

SMS_ID

100000084651

Created by admin on Fri Dec 15 15:05:24 UTC 2023 , Edited by admin on Fri Dec 15 15:05:24 UTC 2023

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ChEMBL

CHEMBL2111164

Created by admin on Fri Dec 15 15:05:24 UTC 2023 , Edited by admin on Fri Dec 15 15:05:24 UTC 2023

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PUBCHEM

11498

Created by admin on Fri Dec 15 15:05:24 UTC 2023 , Edited by admin on Fri Dec 15 15:05:24 UTC 2023

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EPA CompTox

DTXSID50207527

Created by admin on Fri Dec 15 15:05:24 UTC 2023 , Edited by admin on Fri Dec 15 15:05:24 UTC 2023

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ECHA (EC/EINECS)

209-617-1

Created by admin on Fri Dec 15 15:05:24 UTC 2023 , Edited by admin on Fri Dec 15 15:05:24 UTC 2023

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EVMPD

SUB04991MIG

Created by admin on Fri Dec 15 15:05:24 UTC 2023 , Edited by admin on Fri Dec 15 15:05:24 UTC 2023

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MERCK INDEX

m980

Created by admin on Fri Dec 15 15:05:24 UTC 2023 , Edited by admin on Fri Dec 15 15:05:24 UTC 2023

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Merck Index

CAS

588-42-1

Created by admin on Fri Dec 15 15:05:24 UTC 2023 , Edited by admin on Fri Dec 15 15:05:24 UTC 2023

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Related Record Type Details


					B9M85U075P

PARENT -> SALT/SOLVATE

Related Record Type Details


					B9M85U075P

ACTIVE MOIETY