ATAZANAVIR SULFATE

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C38H52N6O7.H2O4S
Molecular Weight	802.934
Optical Activity	( - )
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ATAZANAVIR SULFATE

Structure Search

SMILES

OS(O)(=O)=O.COC(=O)N[C@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@@H](O)CN(CC2=CC=C(C=C2)C3=CC=CC=N3)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C

InChI

InChIKey=DQSGVVGOPRWTKI-QVFAWCHISA-N

InChI=1S/C38H52N6O7.H2O4S/c1-37(2,3)31(41-35(48)50-7)33(46)40-29(22-25-14-10-9-11-15-25)30(45)24-44(43-34(47)32(38(4,5)6)42-36(49)51-8)23-26-17-19-27(20-18-26)28-16-12-13-21-39-28;1-5(2,3)4/h9-21,29-32,45H,22-24H2,1-8H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47);(H2,1,2,3,4)/t29-,30-,31+,32+;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C38H52N6O7
Molecular Weight	704.8555
Charge	0
Count

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

Molecular Formula	H2O4S
Molecular Weight	98.078
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 15:51:54 UTC 2023` Edited by `admin` on `Fri Dec 15 15:51:54 UTC 2023`
Record UNII	4MT4VIE29P
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ATAZANAVIR SULFATE

Official Name

English

EVOTAZ COMPONENT ATAZANAVIR SULFATE

Brand Name

English

ATAZANAVIRI SULFAS [WHO-IP LATIN]

Common Name

English

2,5,6,10,13-Pentaazatetradecanedioic acid, 3,12-bis(1,1-dimethylethyl)-8-hydroxy-4,11-dioxo-9-(phenylmethyl)-6-[[4-(2-pyridinyl)phenyl]methyl]-, dimethyl ester, (3S,8S,9S,12S)-, sulfate (1:1) (salt)

Systematic Name

English

ATAZANAVIR SULFATE [MI]

Common Name

English

Dimethyl (3S,8S,9S,12S)-9-benzyl-3,12,di-tert-butyl-8-hydroxy-4,11-dioxo-6-(p-2-pyridylbenzyl)-2,5,6,10,13-pentaazatetradecanedioate, sulfate (1:1) (salt)

Systematic Name

English

REYATAZ

Brand Name

English

ATAZANAVIR SULFATE [WHO-IP]

Common Name

English

ATAZANAVIR SO4 [VANDF]

Common Name

English

ATAZANAVIR SULFATE [EP MONOGRAPH]

Common Name

English

ATAZANAVIR SULFATE [ORANGE BOOK]

Common Name

English

Atazanavir sulfate [WHO-DD]

Common Name

English

NSC-742546

Code

English

ATAZANAVIR SO4

Common Name

English

ATAZOR

Common Name

English

2,5,6,10,13-Pentaazatetradecanedioic acid, 3,12-bis(1,1-dimethylethyl)-8-hydroxy-4,11-dioxo-9-(phenylmethyl)-6-[[4-(2-pyridinyl)phenyl]methyl]-, 1,14-dimethyl ester, (3S,8S,9S,12S)-, sulfate (1:1)

Systematic Name

English

ATAZANAVIR SULPHATE

Common Name

English

ATAZANAVIR SULFATE [USP-RS]

Common Name

English

ATAZANAVIR SULFATE [USAN]

Common Name

English

BMS-232632-05

Code

English

ATAZANAVIR SULPHATE [EMA EPAR]

Common Name

English

ATAZANAVIR SULFATE COMPONENT OF EVOTAZ

Brand Name

English

ATAZANAVIR SULFATE [MART.]

Common Name

English

ATAZANAVIR SULFATE [JAN]

Common Name

English

Classification Tree Code System Code

EMA ASSESSMENT REPORTS

EVOTAZ (AUTHORIZED: HIV INFECTIONS)

Created by admin on Fri Dec 15 15:51:54 UTC 2023 , Edited by admin on Fri Dec 15 15:51:54 UTC 2023

NCI_THESAURUS

C97366

Created by admin on Fri Dec 15 15:51:54 UTC 2023 , Edited by admin on Fri Dec 15 15:51:54 UTC 2023

EMA ASSESSMENT REPORTS

REYATAZ (AUTHORIZED: HIV INFECTIONS)

Created by admin on Fri Dec 15 15:51:54 UTC 2023 , Edited by admin on Fri Dec 15 15:51:54 UTC 2023

Code System Code Type Description

RS_ITEM_NUM

1044334

Created by admin on Fri Dec 15 15:51:54 UTC 2023 , Edited by admin on Fri Dec 15 15:51:54 UTC 2023

PRIMARY

NSC

742546

Created by admin on Fri Dec 15 15:51:54 UTC 2023 , Edited by admin on Fri Dec 15 15:51:54 UTC 2023

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SMS_ID

100000089598

Created by admin on Fri Dec 15 15:51:54 UTC 2023 , Edited by admin on Fri Dec 15 15:51:54 UTC 2023

PRIMARY

USAN

MM-07

Created by admin on Fri Dec 15 15:51:54 UTC 2023 , Edited by admin on Fri Dec 15 15:51:54 UTC 2023

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WHO INTERNATIONAL PHARMACOPEIA

ATAZANAVIR SULFATE

Created by admin on Fri Dec 15 15:51:54 UTC 2023 , Edited by admin on Fri Dec 15 15:51:54 UTC 2023

PRIMARY

Description: A white to a pale yellow powder. Solubility: Freely soluble in methanol, practically insoluble in water. Category: Antiretroviral (protease inhibitor). Storage: Atazanavir sulfate should be kept in a tightly closed container. Additional information: Atazanavir sulfate is slightly hygroscopic and may exhibit polymorphism. Requirement: Atazanavir sulfate contains not less than 98.0% and not more than 102.0% of C38H52N6O7?H2SO4, calculated with reference to the dried substance.

FDA UNII

4MT4VIE29P

Created by admin on Fri Dec 15 15:51:54 UTC 2023 , Edited by admin on Fri Dec 15 15:51:54 UTC 2023

PRIMARY

PUBCHEM

158550

Created by admin on Fri Dec 15 15:51:54 UTC 2023 , Edited by admin on Fri Dec 15 15:51:54 UTC 2023

PRIMARY

ChEMBL

CHEMBL1163

Created by admin on Fri Dec 15 15:51:54 UTC 2023 , Edited by admin on Fri Dec 15 15:51:54 UTC 2023

PRIMARY

CHEBI

31243

Created by admin on Fri Dec 15 15:51:54 UTC 2023 , Edited by admin on Fri Dec 15 15:51:54 UTC 2023

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CAS

229975-97-7

Created by admin on Fri Dec 15 15:51:54 UTC 2023 , Edited by admin on Fri Dec 15 15:51:54 UTC 2023

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NCI_THESAURUS

C28835

Created by admin on Fri Dec 15 15:51:54 UTC 2023 , Edited by admin on Fri Dec 15 15:51:54 UTC 2023

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EPA CompTox

DTXSID401017206

Created by admin on Fri Dec 15 15:51:54 UTC 2023 , Edited by admin on Fri Dec 15 15:51:54 UTC 2023

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DAILYMED

4MT4VIE29P

Created by admin on Fri Dec 15 15:51:54 UTC 2023 , Edited by admin on Fri Dec 15 15:51:54 UTC 2023

PRIMARY

DRUG BANK

DBSALT000426

Created by admin on Fri Dec 15 15:51:54 UTC 2023 , Edited by admin on Fri Dec 15 15:51:54 UTC 2023

PRIMARY

RXCUI

358299

Created by admin on Fri Dec 15 15:51:54 UTC 2023 , Edited by admin on Fri Dec 15 15:51:54 UTC 2023

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RxNorm

EVMPD

SUB20595

Created by admin on Fri Dec 15 15:51:54 UTC 2023 , Edited by admin on Fri Dec 15 15:51:54 UTC 2023

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MERCK INDEX

m2119

Created by admin on Fri Dec 15 15:51:54 UTC 2023 , Edited by admin on Fri Dec 15 15:51:54 UTC 2023

PRIMARY

Merck Index

Related Record Type Details


					QZU4H47A3S

PARENT -> SALT/SOLVATE

Amount:

Related Record Type Details


					794NZ84YFV

ATAZANAVIR R,S,S,S-DIASTEREOMER

IMPURITY -> PARENT

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount:


					65SW8X25MX

4-(2-PYRIDINYL)BENZALDEHYDE

IMPURITY -> PARENT

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount:


					0L7G8ZHR2P

N-(METHOXYCARBONYL)-L-TERT-LEUCINE

IMPURITY -> PARENT

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

USP

Amount:


					X94JYE6DE2

ATAZANAVIR S,S,S,R-DIASTEREOMER

IMPURITY -> PARENT

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount:


					M37WBB2FGB

ATAZANAVIR BENZYLIDENEHYDRAZINE CARBAMATE

IMPURITY -> PARENT

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount:


					5EQX656EUV

ATAZANAVIR S,R,S,S-DIASTEREOMER

IMPURITY -> PARENT

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount:


					QU98MUT63J

ATAZANAVIR S,R,R,S-DIASTEREOMER

IMPURITY -> PARENT

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount:


					887H6GCD8N

(2S,3S)-3-AMINO-4-PHENYL-1-((E)-1-((4-(PYRIDIN-2-YL)PHENYL)METHYL)-2-((4-(PYRIDIN-2-YL)PHENYL)METHYLIDENE)HYDRAZIN-1-YL)BUTAN-2-OL

IMPURITY -> PARENT

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount:


					ZD25TA7YUL

DES-N-(METHOXYCARBONYL)-L-TERT-LEUCINE BIS-BOC ATAZANAVIR

IMPURITY -> PARENT

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount:


					86FTF3PBY2

DES(BENZYLPYRIDYL) ATAZANAVIR

IMPURITY -> PARENT

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount:


					43R8HY6XXL

4-(PYRIDIN-2-YL)BENZOIC ACID

IMPURITY -> PARENT

Amount:

Related Record Type Details


					QZU4H47A3S

ACTIVE MOIETY

Comments:

http://apps.who.int/phint/pdf/b/Jb.6.1.36.pdf

Amount: