PREDNIMUSTINE

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C35H45Cl2NO6
Molecular Weight	646.641
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of PREDNIMUSTINE

Structure Search

SMILES

[H][C@@]12CC[C@](O)(C(=O)COC(=O)CCCC3=CC=C(C=C3)N(CCCl)CCCl)[C@@]1(C)C[C@H](O)[C@@]4([H])[C@@]2([H])CCC5=CC(=O)C=C[C@]45C

InChI

InChIKey=HFVNWDWLWUCIHC-GUPDPFMOSA-N

InChI=1S/C35H45Cl2NO6/c1-33-14-12-26(39)20-24(33)8-11-27-28-13-15-35(43,34(28,2)21-29(40)32(27)33)30(41)22-44-31(42)5-3-4-23-6-9-25(10-7-23)38(18-16-36)19-17-37/h6-7,9-10,12,14,20,27-29,32,40,43H,3-5,8,11,13,15-19,21-22H2,1-2H3/t27-,28-,29-,32+,33-,34-,35-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C35H45Cl2NO6
Molecular Weight	646.641
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:17:54 UTC 2023` Edited by `admin` on `Fri Dec 15 15:17:54 UTC 2023`
Record UNII	9403SIO2S8
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

PREDNIMUSTINE

Official Name

English

PREDNIMUSTINE [HSDB]

Common Name

English

PREDNIMUSTINE [IARC]

Common Name

English

LEO-1031

Code

English

Prednimustine [WHO-DD]

Common Name

English

11.BETA.,17,21-TRIHYDROXYPREGNA-1,4-DIENE-3,20-DIONE 21-(4-(P-(BIS(2-CHLOROETHYL)AMINO)PHENYL)BUTYRATE)

Common Name

English

PREDNIMUSTINE [USAN]

Common Name

English

prednimustine [INN]

Common Name

English

NSC-171345

Code

English

NSC-134087

Code

English

PREGNA-1,4-DIENE-3,20-DIONE, 21-(4-(4-(BIS(2-CHLOROETHYL)AMINO)PHENYL)-1-OXOBUTOXY)-11,17-DIHYDROXY-, (11.BETA.)-

Common Name

English

PREDNIMUSTINE [MI]

Common Name

English

PREDNIMUSTINE [MART.]

Common Name

English

STEREOCYT

Brand Name

English

PREDNISOLONE CHLORAMBUCIL ESTER

Common Name

English

STERECYT

Brand Name

English

Classification Tree Code System Code

WHO-ATC

L01AA08

Created by admin on Fri Dec 15 15:17:54 UTC 2023 , Edited by admin on Fri Dec 15 15:17:54 UTC 2023

WHO-VATC

QL01AA08

Created by admin on Fri Dec 15 15:17:54 UTC 2023 , Edited by admin on Fri Dec 15 15:17:54 UTC 2023

NCI_THESAURUS

C697

Created by admin on Fri Dec 15 15:17:54 UTC 2023 , Edited by admin on Fri Dec 15 15:17:54 UTC 2023

FDA ORPHAN DRUG

6685

Created by admin on Fri Dec 15 15:17:54 UTC 2023 , Edited by admin on Fri Dec 15 15:17:54 UTC 2023

Code System Code Type Description

RXCUI

8637

Created by admin on Fri Dec 15 15:17:54 UTC 2023 , Edited by admin on Fri Dec 15 15:17:54 UTC 2023

PRIMARY

RxNorm

EVMPD

SUB10016MIG

Created by admin on Fri Dec 15 15:17:54 UTC 2023 , Edited by admin on Fri Dec 15 15:17:54 UTC 2023

PRIMARY

NCI_THESAURUS

C768

Created by admin on Fri Dec 15 15:17:54 UTC 2023 , Edited by admin on Fri Dec 15 15:17:54 UTC 2023

PRIMARY

HSDB

6882

Created by admin on Fri Dec 15 15:17:54 UTC 2023 , Edited by admin on Fri Dec 15 15:17:54 UTC 2023

PRIMARY

ECHA (EC/EINECS)

249-410-3

Created by admin on Fri Dec 15 15:17:54 UTC 2023 , Edited by admin on Fri Dec 15 15:17:54 UTC 2023

PRIMARY

INN

3518

Created by admin on Fri Dec 15 15:17:54 UTC 2023 , Edited by admin on Fri Dec 15 15:17:54 UTC 2023

PRIMARY

SMS_ID

100000081424

Created by admin on Fri Dec 15 15:17:54 UTC 2023 , Edited by admin on Fri Dec 15 15:17:54 UTC 2023

PRIMARY

NSC

171345

Created by admin on Fri Dec 15 15:17:54 UTC 2023 , Edited by admin on Fri Dec 15 15:17:54 UTC 2023

PRIMARY

EPA CompTox

DTXSID4021183

Created by admin on Fri Dec 15 15:17:54 UTC 2023 , Edited by admin on Fri Dec 15 15:17:54 UTC 2023

PRIMARY

PUBCHEM

34457

Created by admin on Fri Dec 15 15:17:54 UTC 2023 , Edited by admin on Fri Dec 15 15:17:54 UTC 2023

PRIMARY

CAS

29069-24-7

Created by admin on Fri Dec 15 15:17:54 UTC 2023 , Edited by admin on Fri Dec 15 15:17:54 UTC 2023

PRIMARY

MERCK INDEX

m1232

Created by admin on Fri Dec 15 15:17:54 UTC 2023 , Edited by admin on Fri Dec 15 15:17:54 UTC 2023

PRIMARY

Merck Index

FDA UNII

9403SIO2S8

Created by admin on Fri Dec 15 15:17:54 UTC 2023 , Edited by admin on Fri Dec 15 15:17:54 UTC 2023

PRIMARY

NSC

134087

Created by admin on Fri Dec 15 15:17:54 UTC 2023 , Edited by admin on Fri Dec 15 15:17:54 UTC 2023

PRIMARY

ChEMBL

CHEMBL2103751

Created by admin on Fri Dec 15 15:17:54 UTC 2023 , Edited by admin on Fri Dec 15 15:17:54 UTC 2023

PRIMARY

WIKIPEDIA

PREDNIMUSTINE

Created by admin on Fri Dec 15 15:17:54 UTC 2023 , Edited by admin on Fri Dec 15 15:17:54 UTC 2023

PRIMARY

MESH

D011238

Created by admin on Fri Dec 15 15:17:54 UTC 2023 , Edited by admin on Fri Dec 15 15:17:54 UTC 2023

PRIMARY

DRUG BANK

DB12832

Created by admin on Fri Dec 15 15:17:54 UTC 2023 , Edited by admin on Fri Dec 15 15:17:54 UTC 2023

PRIMARY

DRUG CENTRAL

2244

Created by admin on Fri Dec 15 15:17:54 UTC 2023 , Edited by admin on Fri Dec 15 15:17:54 UTC 2023

PRIMARY

Related Record Type Details


					9403SIO2S8

ACTIVE MOIETY