VALTRATE

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NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H30O8
Molecular Weight	422.4688
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of VALTRATE

Structure Search

SMILES

[H][C@]12[C@H](OC(=O)CC(C)C)OC=C(COC(C)=O)C1=C[C@H](OC(=O)CC(C)C)[C@]23CO3

InChI

InChIKey=BDIAUFOIMFAIPU-KVJIRVJXSA-N

InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C22H30O8
Molecular Weight	422.4688
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:50:41 UTC 2023` Edited by `admin` on `Fri Dec 15 16:50:41 UTC 2023`
Record UNII	L3JQ035X9B
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

VALTRATE

Official Name

English

Valtrate [WHO-DD]

Common Name

English

BUTANOIC ACID, 3-METHYL-, 4-((ACETYLOXY)METHYL)-6,7A-DIHYDROSPIRO(CYCLOPENTA-(C)PYRAN-7(1H),2'-OXIRANE)-1,6-DIYL ESTER, (1S-(1-.ALPHA.,6-.ALPHA,,7- .BETA.,7A-.ALPHA.))-

Common Name

English

VALEPOTRIATE

Common Name

English

VALTRATE [MART.]

Common Name

English

valtrate [INN]

Common Name

English

HALAZUCHROME B

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C29756

Created by admin on Fri Dec 15 16:50:41 UTC 2023 , Edited by admin on Fri Dec 15 16:50:41 UTC 2023

Code System Code Type Description

RXCUI

236857

Created by admin on Fri Dec 15 16:50:41 UTC 2023 , Edited by admin on Fri Dec 15 16:50:41 UTC 2023

PRIMARY

RxNorm

NCI_THESAURUS

C152823

Created by admin on Fri Dec 15 16:50:41 UTC 2023 , Edited by admin on Fri Dec 15 16:50:41 UTC 2023

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SMS_ID

100000079070

Created by admin on Fri Dec 15 16:50:41 UTC 2023 , Edited by admin on Fri Dec 15 16:50:41 UTC 2023

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INN

2188

Created by admin on Fri Dec 15 16:50:41 UTC 2023 , Edited by admin on Fri Dec 15 16:50:41 UTC 2023

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EPA CompTox

DTXSID501031053

Created by admin on Fri Dec 15 16:50:41 UTC 2023 , Edited by admin on Fri Dec 15 16:50:41 UTC 2023

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MESH

C030127

Created by admin on Fri Dec 15 16:50:41 UTC 2023 , Edited by admin on Fri Dec 15 16:50:41 UTC 2023

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ECHA (EC/EINECS)

242-174-2

Created by admin on Fri Dec 15 16:50:41 UTC 2023 , Edited by admin on Fri Dec 15 16:50:41 UTC 2023

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PUBCHEM

442436

Created by admin on Fri Dec 15 16:50:41 UTC 2023 , Edited by admin on Fri Dec 15 16:50:41 UTC 2023

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ChEMBL

CHEMBL402061

Created by admin on Fri Dec 15 16:50:41 UTC 2023 , Edited by admin on Fri Dec 15 16:50:41 UTC 2023

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FDA UNII

L3JQ035X9B

Created by admin on Fri Dec 15 16:50:41 UTC 2023 , Edited by admin on Fri Dec 15 16:50:41 UTC 2023

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CAS

18296-44-1

Created by admin on Fri Dec 15 16:50:41 UTC 2023 , Edited by admin on Fri Dec 15 16:50:41 UTC 2023

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EVMPD

SUB00019MIG

Created by admin on Fri Dec 15 16:50:41 UTC 2023 , Edited by admin on Fri Dec 15 16:50:41 UTC 2023

PRIMARY

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VALTRATE

ACTIVE MOIETY