OMBITASVIR HEMINONAHYDRATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	2C50H67N7O8.9H2O
Molecular Weight	1950.3557
Optical Activity	UNSPECIFIED
Defined Stereocenters	12 / 12
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O.O.O.O.O.O.O.O.O.COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NC2=CC=C(C=C2)[C@@H]3CC[C@H](N3C4=CC=C(C=C4)C(C)(C)C)C5=CC=C(NC(=O)[C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)C(C)C)C=C5.COC(=O)N[C@@H](C(C)C)C(=O)N7CCC[C@H]7C(=O)NC8=CC=C(C=C8)[C@@H]9CC[C@H](N9C%10=CC=C(C=C%10)C(C)(C)C)C%11=CC=C(NC(=O)[C@@H]%12CCCN%12C(=O)[C@@H](NC(=O)OC)C(C)C)C=C%11

InChI

InChIKey=AWMWWEBJJCSJHI-MVJJBPFMSA-N

InChI=1S/2C50H67N7O8.9H2O/c2*1-30(2)42(53-48(62)64-8)46(60)55-28-10-12-40(55)44(58)51-35-20-14-32(15-21-35)38-26-27-39(57(38)37-24-18-34(19-25-37)50(5,6)7)33-16-22-36(23-17-33)52-45(59)41-13-11-29-56(41)47(61)43(31(3)4)54-49(63)65-9;;;;;;;;;/h2*14-25,30-31,38-43H,10-13,26-29H2,1-9H3,(H,51,58)(H,52,59)(H,53,62)(H,54,63);9*1H2/t2*38-,39-,40-,41-,42-,43-;;;;;;;;;/m00........./s1

HIDE SMILES / InChI

Molecular Formula	C50H67N7O8
Molecular Weight	894.1091
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 06:51:58 UTC 2023` Edited by `admin` on `Sat Dec 16 06:51:58 UTC 2023`
Record UNII	EQE3I70J3W
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

OMBITASVIR HEMINONAHYDRATE

Common Name

English

ABT-267 HEMINONAHYDRATE

Code

English

L-PROLINAMIDE, 2,2'-(((2S,5S)-1-(4-(1,1-DIMETHYLETHYL)PHENYL)-2,5-PYRROLIDINEDIYL)DI-4,1-PHENYLENE)BIS(N-(METHOXYCARBONYL)-L-VALYL-, HYDRATE (2:9)

Systematic Name

English

OMBITASVIR HYDRATE [JAN]

Common Name

English

Code System Code Type Description

FDA UNII

EQE3I70J3W